Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T27812 | Target Info | |||
| Target Name | Serotonin transporter (SERT) | ||||
| Synonyms |
Solute carrier family 6 member 4; HTT; 5HTT; 5HT transporter
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| Target Type | Successful Target | ||||
| Gene Name | SLC6A4 | ||||
| Biochemical Class | Neurotransmitter:sodium symporter | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 62 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Methylphenidate
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|
Approved | Compound Info | ||
| Synonyms |
Calocain; Centedein; Centedrin; Centredin; Concerta; Daytrana; Meridil; Metadate; Methylfenidan; Methylin; Methylofenidan; Methylphen; Methylphenidan; Methylphenidatum; Metilfenidato; Phenidylate; Plimasine; Riphenidate; Ritalin; Ritaline; Tsentedrin; Metadate CD; Metadate ER; Methyl phenidate; Methyl phenidyl acetate; Methyl phenidylacetate; Methylin ER; Metilfenidato [Italian]; Ritalin LA; Ritalin SR; Ritcher works; C 4311; Attenta (TN); Biphentin (TN); Concerta (TN); D-methylphenidate HCl; Daytrana (TN); Equasym (TN); Metadate ER (TN); Methylin (TN); Methylphenidate [INN:BAN]; Methylphenidatum [INN-Latin]; Metilfenidato [INN-Spanish]; Motiron (TN); PMS-Methylphenidate; Ritalin (TN); Ritalin LA (TN); Ritalin-SR; Rubifen (TN); Methylphenidate (USAN/INN); Alpha-Phenyl-2-piperidineacetic acid methyl ester; Methyl phenyl(piperidin-2-yl)acetate; Methyl alpha-phenyl-alpha-2-piperidinylacetate; Alpha-Phenyl-alpha-(2-piperidyl)acetic acid methyl ester; Methyl 2-phenyl-2-piperidin-2-ylacetate; Methyl alpha-phenyl-alpha-(2-piperidyl)acetate; Methyl (2-phenyl-2-(2-piperidyl)acetate); METHYLPHENIDATE (SEE ALSO: METHYLPHENIDATE HYDROCHLORIDE, CAS 298-59-9, NTPNO 10266-R); 2-Piperidineacetic acid, .alpha.-phenyl-, methyl ester; 2-Piperidineacetic acid, alpha-phenyl-, methyl ester
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| Activity |
Ki = 65000 nM
|
[1] | |||
| Compound Name |
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173274; (2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol; SCHEMBL15007461; NGHJSSNVKXEBAB-GXFFZTMASA-N
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173277; (2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol; SCHEMBL15007654; RLZACOPBIXSOEX-SMDDNHRTSA-N
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
HINOKININ
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Investigative | Compound Info | ||
| Synonyms |
Hinokinin; (-)-Hinokinin; 26543-89-5; CHEBI:5722; CHEMBL242011; (3R,4R)-3,4-Bis(benzo[d][1,3]dioxol-5-ylmethyl)dihydrofuran-2(3H)-one; (3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one; (3R-trans)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one; hinoquinin; (-)-hinoquinin; AC1L9DKH; Epitope ID:116880; SCHEMBL1121862; MolPort-039-338-821; ZINC1872258; BDBM50218812; AKOS027324070; LS-190466; C10627; (2r,3r)-2,3-di-(3,4-methylenedioxybenzyl)-butyrolactone
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| Activity |
IC50 = 175000 nM
|
[3] | |||
| Compound Name |
(1R,2S,4R)-1-Aminocyclopentane-1,2,4-tricarboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL239271; BDBM50223511
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| Activity |
Ki ~ 50000 nM
|
[4] | |||
| Compound Name |
(1S,2R,4S)-1-Aminocyclopentane-1,2,4-tricarboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL239906; BDBM50223508
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| Activity |
Ki ~ 50000 nM
|
[4] | |||
| Compound Name |
(1S,2S,4R)-1-Aminocyclopentane-1,2,4-tricarboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL240128; BDBM50223510; 1-Aminocyclopentane-1beta,2beta,4beta-tricarboxylic acid
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| Activity |
Ki ~ 50000 nM
|
[4] | |||
| Compound Name |
2-Hydroxyethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL249214; BDBM50222182
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| Activity |
Ki = 50000 nM
|
[5] | |||
| Compound Name |
3-(4-Fluoro-phenyl)-8-oxa-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL361493; SCHEMBL4385480; BDBM50156397; methyl 3-(4-fluorophenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate
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| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
N-(4-Methoxyphenethyl)-N-methyl-2-(piperidin-1-yl)ethanamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL493384; BDBM50260601
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| Activity |
Ki = 52647 nM
|
[7] | |||
| Compound Name |
1-[3-(Dimethylamino)propyl]-1-naphthalen-2-yl-3H-2-benzofuran-5-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4070493; BDBM50234234
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| Activity |
EC50 = 55000 nM
|
[8] | |||
| Compound Name |
2-(Benzhydrylsulfinylmethyl)-5-chlorothiophene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4104150; BDBM50250540
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| Activity |
IC50 = 57200 nM
|
[9] | |||
| Compound Name |
3-(Benzhydrylsulfinylmethyl)-2-bromothiophene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4088715; BDBM50250539
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| Activity |
IC50 = 59600 nM
|
[9] | |||
| Compound Name |
3-(4-Chloro-phenyl)-8-oxa-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL185792; SCHEMBL4387522; BDBM50156394; methyl 3-(4-chlorophenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate
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| Activity |
IC50 ~ 60000 nM
|
[6] | |||
| Compound Name |
4-Hydroxy Duloxetine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL332097; CTK8E8514; DTXSID40652603; BDBM50148379; ZINC22060628; AKOS030240794; 4-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naphthalen-1-ol; 4-[(1S)-3-(Methylamino)-1-(thiophen-2-yl)propoxy]naphthalen-1-ol
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| Activity |
Ki = 63900 nM
|
[10] | |||
| Compound Name |
2-[(1R)-3-Amino-1-(1,2-oxazol-5-yl)propoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile;oxalic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1762481
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| Activity |
IC50 = 70000 nM
|
[11] | |||
| Compound Name |
Methyl biphenyl-2-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
Methyl 2-phenylbenzoate; Biphenyl-2-carboxylic acid methyl ester; CHEMBL103831; SCHEMBL1775832; CTK0I5028; 5322AD; BDBM50090974; MFCD00452250; ZINC13809591; AKOS005216884; CS-0061851; [1,1'-Biphenyl]carboxylic acid, methyl ester
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| Activity |
IC50 ~ 70000 nM
|
[12] | |||
| Compound Name |
2-(Benzhydrylsulfinylmethyl)-4-bromothiophene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4075022; BDBM50250541
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| Activity |
IC50 = 70900 nM
|
[9] | |||
| Compound Name |
Methyl 2-(biphenyl-4-yl)cycloheptanecarboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL231684; BDBM50211020
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| Activity |
Ki = 73000 nM
|
[13] | |||
| Compound Name |
6-Hydroxy-8-methyl-3-phenyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL89208; SCHEMBL14519304; BDBM50102568
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| Activity |
IC50 = 88000 nM
|
[14] | |||
| Compound Name |
(-)-O-Methylcubebin
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431797; SCHEMBL14064753
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| Activity |
IC50 = 90300 nM
|
[3] | |||
| Compound Name |
3-[3-(4-Fluorophenyl)-1H-benzo[f][2]benzofuran-3-yl]-N,N-dimethylpropan-1-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4064213; BDBM50234229
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| Activity |
EC50 = 95000 nM
|
[8] | |||
| Compound Name |
2-[2-[2-[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]ethoxy]ethoxy]ethanethiol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL264262; SCHEMBL6511454; CTK1B5634; DTXSID60432262; BDBM50174265; 2-(2-(2-(3-(2-aminoethyl)-1H-indol-5-yloxy)ethoxy)ethoxy)ethanethiol; 2-[2-[2-[[3-(2-Aminoethyl)-1H-indole-5-yl]oxy]ethoxy]ethoxy]ethanethiol; Ethanethiol, 2-[2-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]ethoxy]-
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| Activity |
IC50 = 99000 nM
|
[15] | |||
| Compound Name |
(2S,3S)-2-Biphenyl-4-yl-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173701; SCHEMBL15007484; BDBM50322520; (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
Radafaxine
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Investigative | Compound Info | ||
| Synonyms |
(S,S)-Hydroxy Bupropion; UNII-Q47741214K; CHEMBL1172928; (2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-ol; GW 353162; 2-Morpholinol, 2-(3-chlorophenyl)-3,5,5-trimethyl-, (2S,3S)-; Q47741214K; Radafaxine [INN]; Hydroxybupropion (as (RS,RS)-cyclic Hemiketal); (s,s)-hydroxybupropion; (2s,3s)-hydroxybupropion; SCHEMBL48964; CTK8E8317; ZINC5377133; (+)-(2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinol; BDBM50322532; AKOS030254719; DB11790; J-012438; Q1485208; 2-Morpholinol, 2-(3-chlorophenyl)-3,5,5-trimethyl-, (2S-cis)-
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
(2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173275; SCHEMBL2599087; BDBM50322529
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
(2S,3S)-2-(4-Fluorophenyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173353; SCHEMBL15007557; BDBM50322524
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
4-Methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
GSK137647A; GSK 137647; GSK-137647A; N-mesityl-4-methoxybenzenesulfonamide; CHEMBL3311308; MFCD02007969; 4-methoxy-N-(2,4,6-trimethylphenyl)-benzenesulfonamide; CBMicro_012617; Oprea1_349531; Oprea1_545891; SCHEMBL19357604; KS-00000TIW; AOB2991; ZINC184126; BCP17136; EX-A1097; GSK 137647A; SMSF0014079; BDBM50044849; STK899558; AKOS003261220; CB15818; CS-5549; GSK-137647; MCULE-5583867808; N-mesityl-4-methoxy-1-benzenesulfonamide; NCGC00387253-02; NCGC00387253-05; AK240703; AS-16737; HY-19995; BIM-0012523.P001; FFA4 (GPR120) agonist GSK137647A; B7793; EU-0076636; FT-0700296; S0001; ST50719559; GSK137647A, >=98% (HPLC); A14542; AJ-292/14925630; SR-01000478738; J-690285; SR-01000478738-1; [(4-methoxyphenyl)sulfonyl](2,4,6-trimethylphenyl)amine; 4-methoxy-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide; 4-Methoxy-N-(2,4,6-triMethylphenyl)benzenesulfonaMide, 97%
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| Activity |
IC50 ~ 100000 nM
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[16] | |||
| Compound Name |
(cis)-2-(5-Bromopentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL463431; SCHEMBL6484725; BDBM50304392; cis-(+/-)-2-(5-Bromo-pentyl)-4-(3,4-dimethoxy-phenyl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
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| Activity |
IC50 ~ 100000 nM
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[17] | |||
| Compound Name |
6-Hydroxy-8-methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL89756; SCHEMBL5404401; BDBM50102576
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| Activity |
IC50 ~ 100000 nM
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[14] | |||
| Compound Name |
N-Ethyl-2-pyrrolidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL445977; BDBM50261086
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| Activity |
Ki ~ 100000 nM
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[7] | |||
| Compound Name |
(2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173355; SCHEMBL15007923; BDBM50322521
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
(2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
(R,R)-Hydroxy Bupropion; (r,r)-hydroxybupropion; CHEMBL1172929; 2-Morpholinol, 2-(3-chlorophenyl)-3,5,5-trimethyl-, (2R,3R)-; (2r,3r)-hydroxybupropion; SCHEMBL3154016; CTK0E1361; DTXSID40433176; ZINC5370135; (-)-(2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinol; BDBM50322531; AKOS030241183; J-012439; (+/-)-(2R*,3R*)-2-(3-chlorophenyl) -3,5,5-trimethyl-2-morpholinol; (+/-)-(2R*,3R*)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
(2S,3S)-2-(3,5-Difluorophenyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173429; SCHEMBL2598237; BDBM50322517
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
(2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1171260; SCHEMBL15007510; BDBM50322511
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
(cis)-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL440878; SCHEMBL4117302; BDBM50304391; ZINC13474130; 4abeta,5,8,8abeta-Tetrahydro-1-(3,4-dimethoxyphenyl)phthalazine-4(3H)-one; cis-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2Hphthalazin-1-one; (4aS,8aR)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; (4as,8ar)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2h)-one; cis-(+/-)-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
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| Activity |
IC50 ~ 100000 nM
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[17] | |||
| Compound Name |
(2S,3S)-2-(3-Methoxyphenyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173279; SCHEMBL15007166; BDBM50322526
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
N-Methyl-2-pyrrolidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL498565; BDBM50261085
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| Activity |
Ki ~ 100000 nM
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[7] | |||
| Compound Name |
2-(3,5-Dichlorophenyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173430; SCHEMBL2598220; BDBM50322516; (+/-)2-(3,5-Dichlorophenyl)-3,5,5-trimethylmorpholin-2-ol
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
(2S,3S)-2-(3-Nitrophenyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173280; SCHEMBL15007833; BDBM50322525; (2S,3S)-3,5,5-trimethyl-2-(3-nitrophenyl)morpholin-2-ol
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173599; SCHEMBL2599164; BDBM50322509; 3,5,5-trimethyl-2-pyridin-3-ylmorpholin-2-ol; (+/-)3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-ol
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
4-(3,4-Dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL313041; phthalazinone, 19; SCHEMBL2690038; BDBM30126; 4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2h-phthalazin-1-one
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| Activity |
IC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
(2S,3S)-2-(3,4-Difluorophenyl)-3,5,5-trimethylmorpholin-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173427; SCHEMBL15007857; BDBM50322519
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Dimethyl phthalate
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Investigative | Compound Info | ||
| Synonyms |
DIMETHYLPHTHALATE; Fermine; Solvanom; Avolin; Solvarone; Phthalic acid dimethyl ester; Mipax; Palatinol M; Unimoll DM; Repeftal; Dimethyl o-phthalate; Methyl phthalate; dimethyl benzene-1,2-dicarboxylate; 1,2-Benzenedicarboxylic acid, dimethyl ester; Phthalsaeuredimethylester; Dimethyl 1,2-benzenedicarboxylate; Dimethyl benzene-o-dicarboxylate; ENT 262; Phthalic acid, dimethyl ester; 1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester; Dimethyl benzeneorthodicarboxylate; UNII-08X7F5UDJM; NSC 15398; DMF, insect repellent; Dimethyl phthalate, 99%; Benzenedicarboxylic acid, dimethyl ester; 08X7F5UDJM; CHEMBL323348; MFCD00008425; 1,2-dimethyl benzene-1,2-dicarboxylate; NCGC00090692-02; benzene-1,2-dicarboxylic acid dimethyl ester; DSSTox_CID_2455; DSSTox_RID_76596; DSSTox_GSID_22455; Dimethyl phthalate, >=99%; Caswell No. 380; methyl 2-(methoxycarbonyl)benzoate; DMF (insect repellant); dimethyl-phthalate; RCRA waste number U102; Dimethyl phthalate [BSI:ISO]; CCRIS 2674; Phtalate de dimethyle; HSDB 1641; Phthalsaeuredimethylester [German]; Phtalate de dimethyle [ISO-French]; EINECS 205-011-6; RCRA waste no. U102; Dimethylester kyseliny ftalove [Czech]; EPA Pesticide Chemical Code 028002; Dimethylester kyseliny ftalove; AI3-00262; Density Standard 1191 kg/m3; Kemester DMP; Kodaflex DMP; 1,dimethyl ester; Uniplex 110; Dimethyl orthophthalate; 1,2-dimethyl phthalate; ACMC-1BF2T; Dimethyl phthalate [USP]; Phthalic acid methyl ester; EC 205-011-6; WLN: 1OVR BVO1; 1,2-benzenedicarboxylic acid 1,2-dimethyl ester; SCHEMBL34630; Dimethyl phthalate, AR,99%; Dimethyl phthalate, CP,99%; KSC177K2F; MLS002177801; BIDD:ER0349; Phthalic acid, bis-methyl ester; DTXSID3022455; CTK0H7522; Dimethyl 1,2-benzendicarboxylate; KS-00000VLC; Dimethyl-1,2-benzenedicarboxylate; ZINC391885; HY-N7106; NSC15398; Tox21_113536; Tox21_202145; Tox21_301045; ANW-19261; BDBM50090983; NSC-15398; s5378; SBB060335; STL283931; AKOS008969337; CCG-266531; DB13336; MCULE-5213082728; NE10578; NCGC00090692-01; NCGC00090692-03; NCGC00090692-04; NCGC00090692-05; NCGC00090692-06; NCGC00254947-01; NCGC00259694-01; SC-79614; SMR000777937; DB-062803; CS-0013572; FT-0625095; P0302; ST50406382; EN300-18366; C11233; Dimethyl phthalate 5000 microg/mL in Methanol; Dimethyl phthalate, SAJ special grade, >=99.0%; Q423551; J-005938; Z57902306
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
2-[(1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-5,6-dimethyl-1H-benzimidazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1812744; BDBM50349800
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
(2S,3S)-3,5,5-Trimethyl-2-(4-methylphenyl)morpholin-2-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1170441; SCHEMBL15007926; BDBM50322522
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
7-Hydroxy-8-methyl-3-phenyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL88563; BDBM50102587
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
2-N-Methylamino-1-(4-ethylthiophenyl)butane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1077885; BDBM50310868
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[20] | |||
| Compound Name |
2-(5-Bromo-pentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL480988; phthalazinone, 20; SCHEMBL2693531; BDBM30127; 2-(5-bromopentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[21] | |||
| Compound Name |
N-Ethyl-2-piperidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL498774; BDBM50261130
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[7] | |||
| Compound Name |
3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173600; SCHEMBL2598219; BDBM50322508; 3,5,5-trimethyl-2-pyridin-2-ylmorpholin-2-ol; (+/-)3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-ol
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3-(4-Chlorophenyl)-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
RTI-371; CHEMBL1812742; BDBM50349802; Q7277837
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
(2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin-2-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173276; SCHEMBL2598228; BDBM50322528
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-Methyl-2-piperidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL497338; BDBM50261087
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[7] | |||
| Compound Name |
Methyl 2-(naphthalen-2-yl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232068; BDBM50211045
Click to Show/Hide
|
||||
| Activity |
Ki = 109000 nM
|
[13] | |||
| Compound Name |
2-(3,4-Dichlorophenyl)-N-(thiophen-2-ylmethyl)cyclopent-1-enecarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL428408; BDBM50222184
Click to Show/Hide
|
||||
| Activity |
Ki = 110000 nM
|
[5] | |||
| Compound Name |
2-[[(4-Methylphenyl)-phenylmethyl]sulfinylmethyl]thiophene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4064788; BDBM50250542
Click to Show/Hide
|
||||
| Activity |
IC50 = 118400 nM
|
[9] | |||
| Compound Name |
1-(4'-Fluorophenyl)-1-(3-dimethylaminopropyl)-5-bromophthalane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
5-Bromodescyano Citalopram; CHEMBL1215695; Citalopram related compound H [USP]; Citalopram hydrobromide impurity F [EP]; Citalopram hydrochloride impurity F [EP]; 1-(4-Fluorophenyl)-1-(3-dimethylaminopropyl)-5-bromophthalane; SCHEMBL142583; BDBM50324228; (+/-)-1-(4'-Fluorophenyl)-1-(3-dimethylaminopropyl)-5-bromophthalane; MCULE-8741718090; 3-[5-bromo-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine; 5-Bromo-1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran; FT-0663691; Q27263619; 1-(4'-fluorophenyl)-1-(3-dimethylaminopropyl)-5-bromophtalane; 1-(4'fluorophenyl)-1-(3-dimethylaminopropyl)-5-bromophthalane; 1-(4-Fluorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-5-bromoisobenzofuran; 5-bromo-1-(3-dimethylaminopropyl) 1-(4-fluorophenyl)-1,3-dihydroisobenzofuran
Click to Show/Hide
|
||||
| Activity |
IC50 = 120000 nM
|
[22] | |||
| Compound Name |
5-[(1S)-3-(Methylamino)-1-(thiophen-2-yl)propoxy]naphthalene-1,2-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL326713; CTK2G1542; DTXSID90658352; BDBM50148373; 1,2-Naphthalenediol, 5-[(1S)-3-(methylamino)-1-(2-thienyl)propoxy]-; 5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naphthalene-1,2-diol
Click to Show/Hide
|
||||
| Activity |
Ki = 120000 nM
|
[10] | |||
| Compound Name |
2-[Bis(4-fluorophenyl)methylsulfinylmethyl]thiophene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4068156; BDBM50250543
Click to Show/Hide
|
||||
| Activity |
IC50 = 120500 nM
|
[9] | |||
| Compound Name |
Methyl 2-(3,4-dichlorophenyl)cyclohept-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL233088; BDBM50211019
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|
||||
| Activity |
Ki = 149000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethyl)phenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL394373; BDBM50211012
Click to Show/Hide
|
||||
| Activity |
Ki = 185000 nM
|
[13] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 73 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Modafinil
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Provigil; Modiodal
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|
||||
| Activity |
Ki = 570000 nM
|
[23] | |||
| Compound Name |
Dopamine
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Dopamin; Dopamina; Dopaminum; Dophamine; Hydroxytyramin; Hydroxytyramine; Intropin; LDP; Oxytyramine; Revimine; ASL 279; IP 498; Dopamina [INN-Spanish]; Dopamine (INN); Dopamine [INN:BAN]; Dopaminum [INN-Latin]; L-DOPAMINE; M-Hydroxytyramine hydrochloride; Medopa (TN); Intropin [*hydrochloride*]; KW-3-060; Beta-(3,4-Dihydroxyphenyl)ethylamine hydrochloride; Dopamine (USAN)(*hydrochloride*); A-(3,4-Dihydroxyphenyl)-b-aminoethane; Alpha-(3,4-Dihydroxyphenyl)-beta-aminoethane; Pyrocatechol, 4-(2-aminoethyl)-(8CI); Pyrocatechol, 4-(2-aminoethyl)-, hydrochloride; (3H)-Dopamine; 1,2-Benzenediol, 4-(2-aminoethyl)-(9CI); 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride; 1,2-Benzenediol, 4-(2-aminoethyl)-, labeled with tritium; 153C5321-5FEE-4B0B-8925-F388F0EEEBD1; 2-(3,4-dihydroxyphenyl)ethylamine; 2-benzenediol; 3,4-Dihydroxyphenethylamine hydrochloride; 3,4-Dihydroxyphenylethylamine; 3,4-dihydroxyphenethylamine; 3-Hydroxtyramine; 3-Hydroxytyramine; 3-Hydroxytyramine Hydrobromide; 3-Hydroxytyramine hydrochloride; 4-(2-Aminoethyl)-1; 4-(2-Aminoethyl)-1,2-benzenediol; 4-(2-Aminoethyl)-1,2-bezenediol; 4-(2-Aminoethyl)benzene-1,2-diol; 4-(2-Aminoethyl)catechol; 4-(2-Aminoethyl)pyrocatechol; 4-(2-Aminoethyl)pyrocatechol hydrochloride; 4-(2-aminoethyl)-pyrocatechol
Click to Show/Hide
|
||||
| Activity |
Ki > 1100000 nM
|
[24] | |||
| Compound Name |
(-)-cubebin
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Cubebin; (-)-Cubebin; 18423-69-3; beta-cubebin; UNII-J237078S8A; (2s,3r,4r)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol; EINECS 242-300-6; Tetrahydro-3,4-dipiperonylfuran-2-ol; (8R,8'R,9S)-cubebin; AI3-62265; CHEMBL399831; CHEBI:65684; J237078S8A; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-; Cubebine; 9-Hydroxy-3,4:3',4'-bis(methylenedioxy)-9,9'-epoxylignan; 3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)oxolan-2-ol; .beta.-Cubebin; 2-Furanol, tetrahydro-3,4-dipiperonyl-; AC1Q59VI; AC1L3KW2; SCHEMBL4884683
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|
||||
| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(naphthalen-2-yl)benzoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL103936; methyl 2-(naphthalen-2-yl)benzoate; SCHEMBL16683936; BDBM50090973; ZINC13809589; 2-(2-Naphthyl)benzoic acid methyl ester; 2-Naphthalen-2-yl-benzoic acid methyl ester
Click to Show/Hide
|
||||
| Activity |
Ki = 620000 nM
|
[13] | |||
| Compound Name |
5-(Benzhydrylsulfinylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4103476; BDBM50250538
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|
||||
| Activity |
IC50 = 209500 nM
|
[9] | |||
| Compound Name |
Methyl 2-(3,4-dichlorophenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL395910; BDBM50211029
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|
||||
| Activity |
Ki = 228000 nM
|
[13] | |||
| Compound Name |
5-Hydroxy-6-methoxy Duloxetine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
UNII-B18NZM26WW; B18NZM26WW; CHEMBL119605; CTK8E8516; DTXSID00225135; 5-Hydroxy-6-methoxy (S)-duloxetine; BDBM50148378; ZINC22060783; 1-Naphthalenol, 2-methoxy-5-((1S)-3-(methylamino)-1-(2-thienyl)propoxy)-; AKOS030242920; Q27274248; 2-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-propoxy)-naphthalen-1-ol
Click to Show/Hide
|
||||
| Activity |
Ki = 266000 nM
|
[10] | |||
| Compound Name |
Methyl 2-(4-acetylphenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232867; BDBM50211030
Click to Show/Hide
|
||||
| Activity |
Ki = 296000 nM
|
[13] | |||
| Compound Name |
2-(3,4-Dichlorophenyl)-N,N-diethylcyclopent-1-enecarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL250008; BDBM50222174
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|
||||
| Activity |
Ki = 300000 nM
|
[5] | |||
| Compound Name |
2-N-Hydroxy-N-methylamino-1-(4-methylthiophenyl)butane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1078183; BDBM50310853
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|
||||
| Activity |
EC50 = 309029.54 nM
|
[20] | |||
| Compound Name |
2-N-Cyclopropylamino-1-(4-methylthiophenyl)propane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1079149; BDBM50310858
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|
||||
| Activity |
EC50 = 316227.77 nM
|
[20] | |||
| Compound Name |
2-N-(Isopropyl)amino-1-(4-methylthiophenyl)propane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1079148; BDBM50310857
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|
||||
| Activity |
EC50 = 338844.16 nM
|
[20] | |||
| Compound Name |
1,2-Dichloro-4-(2-(prop-1-enyl)cyclohex-1-enyl)benzene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232498; BDBM50211002
Click to Show/Hide
|
||||
| Activity |
Ki = 381000 nM
|
[13] | |||
| Compound Name |
2-Fluoroethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL401070; BDBM50222186
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|
||||
| Activity |
Ki = 390000 nM
|
[5] | |||
| Compound Name |
Methyl 2-(biphenyl-4-yl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL233532; BDBM50211028
Click to Show/Hide
|
||||
| Activity |
Ki = 390000 nM
|
[13] | |||
| Compound Name |
2-(N-Methyl-N-hydroxy)amino-1-(4-ethylthiophenyl)butane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1078351; BDBM50310843
Click to Show/Hide
|
||||
| Activity |
EC50 = 398107.17 nM
|
[20] | |||
| Compound Name |
Methyl 2-(naphthalen-2-yl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL396082; BDBM50211006
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|
||||
| Activity |
Ki = 417000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(3-chlorophenyl)cyclohept-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL396318; BDBM50211013
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|
||||
| Activity |
Ki = 463000 nM
|
[13] | |||
| Compound Name |
(2-(3,4-Dichlorophenyl)cyclopent-1-enyl)(morpholino)methanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL250000; BDBM50222180
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|
||||
| Activity |
Ki > 500000 nM
|
[5] | |||
| Compound Name |
2-(3,4-Dichlorophenyl)-N-methoxycyclopent-1-enecarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL399228; BDBM50222185
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|
||||
| Activity |
Ki > 500000 nM
|
[5] | |||
| Compound Name |
o-Tolyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL403570; BDBM50222183
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|
||||
| Activity |
Ki > 500000 nM
|
[5] | |||
| Compound Name |
Phenyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL401071; BDBM50222188
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|
||||
| Activity |
Ki > 500000 nM
|
[5] | |||
| Compound Name |
2-(3,4-Dichlorophenyl)-N-(2-fluoroethyl)cyclopent-1-enecarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL398559; BDBM50222191
Click to Show/Hide
|
||||
| Activity |
Ki > 500000 nM
|
[5] | |||
| Compound Name |
Isopropyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL401069; BDBM50222176
Click to Show/Hide
|
||||
| Activity |
Ki = 500000 nM
|
[5] | |||
| Compound Name |
(2-(3,4-Dichlorophenyl)cyclopent-1-enyl)(pyrrolidin-1-yl)methanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL249807; BDBM50222181
Click to Show/Hide
|
||||
| Activity |
Ki = 520000 nM
|
[5] | |||
| Compound Name |
Methyl 2-(naphthalen-2-yl)cyclohept-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL434959; BDBM50211021
Click to Show/Hide
|
||||
| Activity |
Ki = 532000 nM
|
[13] | |||
| Compound Name |
2-(3,4-Dichlorophenyl)-N-methoxy-N-methylcyclopent-1-enecarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL249213; BDBM50222192
Click to Show/Hide
|
||||
| Activity |
Ki = 540000 nM
|
[5] | |||
| Compound Name |
Methyl 2-(4-hydroxyphenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL395649; BDBM50211009
Click to Show/Hide
|
||||
| Activity |
Ki = 573000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethoxy)phenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL442234; BDBM50211033
Click to Show/Hide
|
||||
| Activity |
Ki = 605000 nM
|
[13] | |||
| Compound Name |
Methyl 2-phenylcyclohexene-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL234127; BDBM50211034
Click to Show/Hide
|
||||
| Activity |
Ki = 668000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-chlorophenyl)cyclohept-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL398009; SCHEMBL1957762; BDBM50211037; ZINC28714398; methyl 2-(4-chlorophenyl)cycloheptene-1-carboxylate
Click to Show/Hide
|
||||
| Activity |
Ki = 706000 nM
|
[13] | |||
| Compound Name |
5-Dimethylaminobutyryl citalopram
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4072807; Citalopram EP Impurity G; SCHEMBL460891; SCHEMBL15187572; BDBM50234236; FT-0665066; J3.499.019K; Q27255495; (freebase)Citalopram Dimethylaminobutanone Dihydrochloride Salt
Click to Show/Hide
|
||||
| Activity |
EC50 = 714000 nM
|
[8] | |||
| Compound Name |
2-(N-Hydroxy-N-methylamino)-1-(4-methylthiophenyl)propane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1078836; BDBM50310864; 2-N-Hydroxy-N-methylamino-1-(4-methylthiophenyl)propane
Click to Show/Hide
|
||||
| Activity |
EC50 = 741310.24 nM
|
[20] | |||
| Compound Name |
Methyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL245061; BDBM50211023
Click to Show/Hide
|
||||
| Activity |
Ki = 785000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(biphenyl-4-yl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232069; BDBM50211022; 2-biphenyl-4-yl-cyclohex-1-enecarboxylic acid methyl ester
Click to Show/Hide
|
||||
| Activity |
Ki = 841000 nM
|
[13] | |||
| Compound Name |
Thiophen-2-ylmethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL403571; BDBM50222178
Click to Show/Hide
|
||||
| Activity |
Ki = 910000 nM
|
[5] | |||
| Compound Name |
N-Cyclobutyl-2-(3,4-dichlorophenyl)cyclopent-1-enecarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL402924; BDBM50222189
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[5] | |||
| Compound Name |
Cyclohexyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL399430; BDBM50222190
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[5] | |||
| Compound Name |
2,2,2-Trifluoroethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL249215; BDBM50222177
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[5] | |||
| Compound Name |
m-Tolyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL248824; BDBM50222179
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[5] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cyclohept-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232663; BDBM50211015
Click to Show/Hide
|
||||
| Activity |
Ki = 1040000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-nitrophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232675; BDBM50211047
Click to Show/Hide
|
||||
| Activity |
Ki = 1141000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(3-chlorophenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL231858; BDBM50211024
Click to Show/Hide
|
||||
| Activity |
Ki = 1180000 nM
|
[13] | |||
| Compound Name |
4-(1-Methylpyridinium)phenylmethanethiosulphonate iodide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL224093; BDBM50476261
Click to Show/Hide
|
||||
| Activity |
Ki = 1300000 nM
|
[25] | |||
| Compound Name |
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-yl]oxyoxane-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029052; BDBM50451958
Click to Show/Hide
|
||||
| Activity |
Ki = 1459000 nM
|
[10] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL396083; BDBM50211014
Click to Show/Hide
|
||||
| Activity |
Ki = 1460000 nM
|
[13] | |||
| Compound Name |
Methyl 2-phenylcyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL233530; BDBM50211043
Click to Show/Hide
|
||||
| Activity |
Ki = 1510000 nM
|
[13] | |||
| Compound Name |
2-N-(2-Hydroxyethyl)amino-1-(4-methylthiophenyl)propane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1078510; BDBM50310861
Click to Show/Hide
|
||||
| Activity |
EC50 = 1778279.41 nM
|
[20] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cycloheptanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL234379; BDBM50211040
Click to Show/Hide
|
||||
| Activity |
Ki = 1800000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-chlorophenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232870; BDBM50211008
Click to Show/Hide
|
||||
| Activity |
Ki = 1860000 nM
|
[13] | |||
| Compound Name |
2-N-(2-Methoxyethyl)amino-1-(4-methylthiophenyl)butane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1077901; BDBM50310851
Click to Show/Hide
|
||||
| Activity |
EC50 = 1905460.72 nM
|
[20] | |||
| Compound Name |
Methyl 2-(3-(trifluoromethyl)phenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL393701; BDBM50211018
Click to Show/Hide
|
||||
| Activity |
Ki = 1910000 nM
|
[13] | |||
| Compound Name |
1-(4-Pentylsulfanylphenyl)propan-1-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1078099
Click to Show/Hide
|
||||
| Activity |
EC50 = 1949844.6 nM
|
[20] | |||
| Compound Name |
Methyl 2-(3-aminophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232674; BDBM50211010
Click to Show/Hide
|
||||
| Activity |
Ki = 1950000 nM
|
[13] | |||
| Compound Name |
1-(4-Methylsulfonylphenyl)propan-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1077962; AKOS012499240
Click to Show/Hide
|
||||
| Activity |
EC50 = 2137962.09 nM
|
[20] | |||
| Compound Name |
Methyl 2-(3-chlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232671; TQR0705; BDBM50211032
Click to Show/Hide
|
||||
| Activity |
Ki = 2240000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232070; BDBM50211036
Click to Show/Hide
|
||||
| Activity |
Ki = 2250000 nM
|
[13] | |||
| Compound Name |
2-(N-Methoxy-N-methylamino)-1-(4-methylthiophenyl)propane
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1078837; BDBM50310865; 2-N-Methoxy-N-methylamino-1-(4-methylthiophenyl)propane
Click to Show/Hide
|
||||
| Activity |
EC50 = 2454708.92 nM
|
[20] | |||
| Compound Name |
Methyl 2-(4-methoxyphenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232672; TQR0703; BDBM50211039; 2-(4-Methoxyphenyl)-1-cyclopentene-1-carboxylic acid methyl ester
Click to Show/Hide
|
||||
| Activity |
Ki = 2690000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-chlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL394585; SCHEMBL21335107; BDBM50211027; methyl 2-(4-chlorophenyl)cyclopentene-1-carboxylate
Click to Show/Hide
|
||||
| Activity |
Ki = 2840000 nM
|
[13] | |||
| Compound Name |
Sodium 2-methoxy-5-[(1S)-3-(methylamino)-1-(thiophen-2-yl)propoxy]naphthalen-1-yl sulfate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL420142; DTXSID30658351; sodium;[2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl] sulfate
Click to Show/Hide
|
||||
| Activity |
Ki = 3118000 nM
|
[10] | |||
| Compound Name |
Methyl 2-(4-(methylsulfonyl)phenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL397787; BDBM50211048
Click to Show/Hide
|
||||
| Activity |
Ki = 3388000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethoxy)phenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232866; BDBM50211038
Click to Show/Hide
|
||||
| Activity |
Ki = 3800000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethoxy)phenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL397520; BDBM50211044
Click to Show/Hide
|
||||
| Activity |
Ki = 4680000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethyl)phenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL438321; BDBM50211004; 2-[4-(Trifluoromethyl)phenyl]-1-cyclohexene-1-carboxylic acid methyl ester
Click to Show/Hide
|
||||
| Activity |
Ki = 4710000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(3-(trifluoromethyl)phenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL234128; BDBM50211025
Click to Show/Hide
|
||||
| Activity |
Ki = 5020000 nM
|
[13] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL394089; BDBM50211007
Click to Show/Hide
|
||||
| Activity |
Ki = 9120000 nM
|
[13] | |||
| Compound Name |
(2S,3S,4S,5R,6S)-6-[1-[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029054; BDBM50451956
Click to Show/Hide
|
||||
| Activity |
Ki > 10000000 nM
|
[10] | |||
| Compound Name |
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl]oxyoxane-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029055; BDBM50451955
Click to Show/Hide
|
||||
| Activity |
Ki > 10000000 nM
|
[10] | |||
| Compound Name |
4-Hydroxy Duloxetine b-D-Glucuronide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
UNII-GF5FP4W1EJ; GF5FP4W1EJ; CHEMBL2029053; 4-Hydroxyduloxetine glucuronide; Duloxetine 4-hydroxyglucuronide; 4-Hydroxy duloxetine glucuronide; BDBM50451957; ZINC22060640; LY-550408; 4-Hydroxy Duloxetine beta-D-Glucuronide Sodium Salt
Click to Show/Hide
|
||||
| Activity |
Ki > 10000000 nM
|
[10] | |||
| Compound Name |
(RR/SS)-methyl 2-(4-chlorophenyl)-2-(piperidin-2-yl)acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL219116; BDBM50202383; (RS/SR)-methyl 2-(4-chlorophenyl)-2-(piperidin-2-yl)acetate
Click to Show/Hide
|
||||
| Activity |
IC50 > 10000000 nM
|
[1] | |||
| Compound Name |
(RR/SS)-2-[1-(4-chlorophenyl)-2-methylpropyl]piperidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL218848; BDBM50202401; (RS/SR)-2-[1-(4-chlorophenyl)-2-methylpropyl]piperidine
Click to Show/Hide
|
||||
| Activity |
Ki > 10000000 nM
|
[1] | |||
| Compound Name |
Trimethyl-(2-methylsulfonylsulfanylethyl)azanium bromide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL224476; Ethanaminium, N,N,N-trimethyl-2-[(methylsulfonyl)thio]-; trimethyl(2-methylsulfonylsulfanylethyl)azanium; SCHEMBL4428714; CTK0J8133; DTXSID80276044; ZINC2562407; BDBM50476262
Click to Show/Hide
|
||||
| Activity |
EC50 = 2.00E+12 nM
|
[25] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
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| REF 1 | Slow-onset, long-duration, alkyl analogues of methylphenidate with enhanced selectivity for the dopamine transporter. J Med Chem. 2007 Jan 25;50(2):219-32. | ||||
| REF 2 | Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking cessation. J Med Chem. 2010 Jun 24;53(12):4731-48. | ||||
| REF 3 | The lignan (-)-hinokinin displays modulatory effects on human monoamine and GABA transporter activities. J Nat Prod. 2013 Oct 25;76(10):1889-95. | ||||
| REF 4 | 1-Aminocyclopentane-1,2,4-tricarboxylic acids screening on glutamatergic and serotonergic systems. Bioorg Med Chem. 2007 Dec 15;15(24):7581-9. | ||||
| REF 5 | High dopamine transporter selectivity can be displayed by remarkably simple non-nitrogen containing inhibitors. Bioorg Med Chem Lett. 2007 Nov 1;17(21):6019-25. | ||||
| REF 6 | Synthesis of 8-thiabicyclo[3.2.1]oct-2-enes and their binding affinity for the dopamine and serotonin transporters. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6007-10. | ||||
| REF 7 | Trifluoromethoxyl substituted phenylethylene diamines as high affinity sigma receptor ligands with potent anti-cocaine actions. J Med Chem. 2008 Jun 12;51(11):3322-5. | ||||
| REF 8 | X-ray structure based evaluation of analogs of citalopram: Compounds with increased affinity and selectivity compared with R-citalopram for the allosteric site (S2) on hSERT. Bioorg Med Chem Lett. 2017 Feb 1;27(3):470-478. | ||||
| REF 9 | Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors. J Med Chem. 2017 Nov 22;60(22):9330-9348. | ||||
| REF 10 | Synthesis and biological activity of some known and putative duloxetine metabolites. Bioorg Med Chem Lett. 2004 Jul 5;14(13):3481-6. | ||||
| REF 11 | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS). Bioorg Med Chem Lett. 2011 Apr 15;21(8):2468-71. | ||||
| REF 12 | 2-Carbomethoxy-3-aryl-8-bicyclo[3.2.1]octanes: potent non-nitrogen inhibitors of monoamine transporters. J Med Chem. 2000 Aug 10;43(16):2982-91. | ||||
| REF 13 | Synthesis, inhibition and binding of simple non-nitrogen inhibitors of monoamine transporters. Bioorg Med Chem. 2007 Jun 15;15(12):4159-74. | ||||
| REF 14 | Synthesis of 6- and 7- hydroxy-8-azabicyclo[3.2.1]octanes and their binding affinity for the dopamine and serotonin transporters. J Med Chem. 2001 Aug 2;44(16):2619-35. | ||||
| REF 15 | Inhibitors of the serotonin transporter protein (SERT): the design and synthesis of biotinylated derivatives of 3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indoles. High-affinity serotonergic ligands for conjugation with quantum dots. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5307-10. | ||||
| REF 16 | Identification of diarylsulfonamides as agonists of the free fatty acid receptor 4 (FFA4/GPR120). Bioorg Med Chem Lett. 2014 Jul 15;24(14):3100-3. | ||||
| REF 17 | Inhibition of serotonin and norepinephrine reuptake and inhibition of phosphodiesterase by multi-target inhibitors as potential agents for depression. Bioorg Med Chem. 2009 Oct 1;17(19):6890-7. | ||||
| REF 18 | Dual inhibitors of phosphodiesterase-4 and serotonin reuptake. J Med Chem. 2009 Mar 26;52(6):1530-9. | ||||
| REF 19 | Nicotinic acetylcholine receptor efficacy and pharmacological properties of 3-(substituted phenyl)-2-substituted tropanes. J Med Chem. 2010 Dec 9;53(23):8345-53. | ||||
| REF 20 | Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents. Eur J Med Chem. 2009 Dec;44(12):4862-88. | ||||
| REF 21 | Stereoselective inhibition of serotonin re-uptake and phosphodiesterase by dual inhibitors as potential agents for depression. Bioorg Med Chem. 2009 Jan 1;17(1):337-43. | ||||
| REF 22 | Design and synthesis of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile (citalopram) analogues as novel probes for the serotonin transporter S1 and S2 binding sites. J Med Chem. 2013 Dec 12;56(23):9709-24. | ||||
| REF 23 | Elucidation of structural elements for selectivity across monoamine transporters: novel 2-[(diphenylmethyl)sulfinyl]acetamide (modafinil) analogues. J Med Chem. 2014 Feb 13;57(3):1000-13. | ||||
| REF 24 | Synthesis and biological activity of 2-carbomethoxy-3-catechol-8-azabicyclo[3.2.1]octanes. Bioorg Med Chem Lett. 2003 Nov 17;13(22):4133-7. | ||||
| REF 25 | 1-Methylpyridinium-4-(4-phenylmethanethiosulfonate) iodide, MTS-MPP+, a novel scanning cysteine accessibility method (SCAM) reagent for monoamine transporter studies. Bioorg Med Chem. 2007 Jan 1;15(1):305-11. | ||||
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