Target Poor or Non Binder(s) Information
Target General Information | Top | ||||
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Target ID | T55959 | Target Info | |||
Target Name | Dopamine transporter (DAT) | ||||
Synonyms |
Solute carrier family 6 member 3; Sodium-dependent dopamine transporter; DAT1; DAT; DA transporter
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Target Type | Successful Target | ||||
Gene Name | SLC6A3 | ||||
Biochemical Class | Neurotransmitter:sodium symporter | ||||
UniProt ID |
Poor Binders of This Target (in total, 40 binders) | Download | Top | |||
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Compound Name |
Desipramine
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Approved | Compound Info | ||
Synonyms |
Demethylimipramine; Desimipramine; Desimpramine; Desipramin; Desipramina; Desipraminum; Desmethylimipramine; Dezipramine; Dimethylimipramine; Methylaminopropyliminodibenzyl; Monodemethylimipramine; Norimipramine; Norpramine; Pentofran; Pertrofane; Sertofran; Desipramine Hcl; DMI 50475; DMI (pharmaceutical); Desipramina [INN-Spanish]; Desipramine (D4); Desipramine (INN); Desipramine [INN:BAN]; Desipraminum [INN-Latin]; Norpramin (TN); Pertofrane (TN); ZERO/006017; N-(3-Methylaminopropyl)iminobibenzyl; (3-(10H,11H-Dibenzo[b,f]azepin-5-yl)propyl)methylamine; 10, 11-Dihydro-N-methyl-5H-dibez[b,f]azepine-5-propanamine; 10,11-Dihydro-5-(3-methylaminopropyl)-5H-dibenz(b,f)azepine; 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE; 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine; 5-(gamma-Methylaminopropyl)iminodibenzyl
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Activity |
IC50 = 50500 nM
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[1] | |||
Compound Name |
trans-2-Aminoethyl-5-(2''-methoxy-5''-fluorobenzyl)-tetrahydrofuran
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Investigative | Compound Info | ||
Synonyms |
CHEMBL456222; BDBM50276589; 2-[(2R,5R)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]ethanamine
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Activity |
Ki = 51020 nM
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[2] | |||
Compound Name |
Methyl 3-(3-fluoro-4-methylphenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL429630; BDBM50292305
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Activity |
Ki = 56000 nM
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[3] | |||
Compound Name |
5-(Benzhydrylsulfinylmethyl)-3-methyl-1,2,4-oxadiazole
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4074275; BDBM50250546
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Activity |
IC50 = 56700 nM
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[4] | |||
Compound Name |
(2-(3,4-Dichlorophenyl)cyclopent-1-enyl)(pyrrolidin-1-yl)methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL249807; BDBM50222181
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Activity |
Ki = 58000 nM
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[5] | |||
Compound Name |
(3S,4S)-Methyl 4-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL397490; BDBM50211005; methyl (3S,4S)-4-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxylate; (+/-)-Cis-1-methyl-4-(3,4-dichlorophenyl)-piperidine-3-carboxylic acid methyl ester
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Activity |
Ki = 59400 nM
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[6] | |||
Compound Name |
4-(Benzhydrylsulfinylmethyl)pyridine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4077697; BDBM50250545
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Activity |
IC50 = 63500 nM
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[4] | |||
Compound Name |
(2-{5-[2-(5-Fluoro-2-methoxy-phenyl)-ethyl]-tetrahydro-furan-2-yl}-ethyl)-methyl-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL473966; SCHEMBL2690103; BDBM30133; tetrahydrofuranyl ethylamine, 24; 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine
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Activity |
Ki = 66988 nM
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[7] | |||
Compound Name |
3-Biphenyl-2-yl-8-chloromethyl-8-methyl-8-azonia-bicyclo[3.2.1]oct-2-ene
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Investigative | Compound Info | ||
Synonyms |
CHEMBL370158; BDBM50174844
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Activity |
IC50 = 67000 nM
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[8] | |||
Compound Name |
Methyl 3-(4-nitrophenyl)-7-aza-bicyclo[2.2.1]hept-2-ene-2-carboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL438682; BDBM50292304
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Activity |
Ki = 67900 nM
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[3] | |||
Compound Name |
(R)-N-(Naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)methanesulfonamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL566576; BDBM50302325
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Activity |
IC50 ~ 68000 nM
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[9] | |||
Compound Name |
5-(Benzhydrylsulfinylmethyl)-4-propan-2-ylthiadiazole
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4085551; BDBM50250562
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Activity |
IC50 = 69100 nM
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[4] | |||
Compound Name |
(-)-O-Methylcubebin
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2431797; SCHEMBL14064753
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Activity |
IC50 = 78600 nM
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[10] | |||
Compound Name |
4-(Benzhydrylsulfinylmethyl)-2,6-dimethylpyrimidine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4105083; BDBM50250563
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Activity |
IC50 = 82600 nM
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[4] | |||
Compound Name |
Methyl 2-(4-chlorophenyl)cyclohex-1-enecarboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL232870; BDBM50211008
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Activity |
Ki = 85000 nM
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[6] | |||
Compound Name |
2-(Benzhydrylsulfinylmethyl)-4-methoxy-6-methylpyrimidine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4071524; BDBM50250550
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Activity |
IC50 = 90500 nM
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[4] | |||
Compound Name |
2-(3,4-Dichlorophenyl)-N,N-diethylcyclopent-1-enecarboxamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL250008; BDBM50222174
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Activity |
Ki = 94000 nM
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[5] | |||
Compound Name |
cis-2-Aminomethyl-5-(2''-methoxy-5''-fluorophenylmethyl)tetrahydrofuran
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Investigative | Compound Info | ||
Synonyms |
CHEMBL450987; SCHEMBL5530520; BDBM50276588
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Activity |
Ki = 97180 nM
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[2] | |||
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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[11] | |||
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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[11] | |||
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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[12] | |||
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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[13] | |||
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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[11] | |||
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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[13] | |||
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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[11] | |||
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 |
Ki ~ 100000 nM
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[7] | |||
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
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Activity |
IC50 ~ 100000 nM
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[14] | |||
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 ~ 100000 nM
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[14] | |||
Compound Name |
2-(5-Bromo-pentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL480988; phthalazinone, 20; SCHEMBL2693531; BDBM30127; 2-(5-bromopentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
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Activity |
Ki ~ 100000 nM
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[15] | |||
Compound Name |
3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-ol
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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
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Activity |
IC50 ~ 100000 nM
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[11] | |||
Compound Name |
5-(Benzhydrylsulfinylmethyl)-2-methoxy-2,3-dihydro-1,3,4-thiadiazole
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4085703; BDBM50250544
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Activity |
IC50 = 107600 nM
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[4] | |||
Compound Name |
2-(Benzhydrylsulfinylmethyl)-4-methyl-1H-pyrimidin-6-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4092312; BDBM50250549
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Activity |
IC50 = 109000 nM
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[4] | |||
Compound Name |
Methyl 2-(3-aminophenyl)cyclopent-1-enecarboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL232674; BDBM50211010
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Activity |
Ki = 121000 nM
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[6] | |||
Compound Name |
US9085531, 4-(3,5-dimethyl-isoxazol-4-yl
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3663906; BDBM170433
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Activity |
Ki = 128000 nM
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[16] | |||
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 = 130000 nM
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[17] | |||
Compound Name |
Methyl 2-(4-methoxyphenyl)cyclopent-1-enecarboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL232672; TQR0703; BDBM50211039; 2-(4-Methoxyphenyl)-1-cyclopentene-1-carboxylic acid methyl ester
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Activity |
Ki = 140000 nM
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[6] | |||
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 ~ 150000 nM
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[18] | |||
Compound Name |
2-(Benzhydrylsulfinylmethyl)-5-methylpyrimidine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4080841; BDBM50250551
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Activity |
IC50 = 155700 nM
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[4] | |||
Compound Name |
5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naphthalen-2-ol
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Investigative | Compound Info | ||
Synonyms |
CHEMBL332098; BDBM50148370
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Activity |
Ki = 163500 nM
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[17] | |||
Compound Name |
(1R,4S,8R,10S,13R,18R,21R,27S,30S,33S)-30-(4-Aminobutyl)-18-[[(2S)-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-8-hydroxy-27-[(4-hydroxyphenyl)methyl]-4-(1H-imidazol-5-ylmethyl)-33-(2-methylpropyl)-2,5,11,19,22,25,28,31,34-nonaoxo-15,16,37,38-tetrathia-3,6,12,20,23,26,29,32,35-nonazatricyclo[19.14.4.06,10]nonatriacontane-13-carboxylic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL503461
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Activity |
IC50 = 199526.23 nM
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[19] | |||
Click to Show/Hide the Information of All Poor Binders |
Non Binders of This Target (in total, 57 non binders) | Download | Top | |||
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Compound Name |
Duloxetine
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Approved | Compound Info | ||
Synonyms |
Yentreve; LY 248686; Cymbalta (TN); Duloxetine (INN); Duloxetine [INN:BAN]; Yentreve (TN); Duloxetine, (+)-isomer; (3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine; (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine; (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine; (S)-Duloxetine; (S)-N-Methyl-gamma-(1-naphthalenyloxy)-2-thiophenepropanamine
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Activity |
Ki = 240000 nM
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[17] | |||
Compound Name |
Citalopram derivative 1
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Patented | Compound Info | ||
Synonyms |
PMID29334795-Compound-59
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Activity |
Ki > 1000000 nM
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[20] | |||
Compound Name |
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL567932; (S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide; SCHEMBL4634335
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Activity |
IC50 = 744000 nM
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[9] | |||
Compound Name |
Methyl 2-(4-(trifluoromethyl)phenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL394373; BDBM50211012
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|
||||
Activity |
Ki = 222000 nM
|
[6] | |||
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 = 231000 nM
|
[6] | |||
Compound Name |
Methyl 3-(3-nitrophenyl)-7-aza-bicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL236473; BDBM50292306
Click to Show/Hide
|
||||
Activity |
Ki = 232000 nM
|
[3] | |||
Compound Name |
Methyl 2-(3-nitrophenyl)cyclohexene-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL232879; BDBM50211016
Click to Show/Hide
|
||||
Activity |
Ki = 239000 nM
|
[6] | |||
Compound Name |
5-Hydroxyduloxetine
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
UNII-24CAA38X5F; 24CAA38X5F; CHEMBL324967; 5-Hydroxy duloxetine; DTXSID40225134; 1-Naphthalenol, 5-((1S)-3-(methylamino)-1-(2-thienyl)propoxy)-; BDBM50148377; Q27253839; 5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naphthalen-1-ol
Click to Show/Hide
|
||||
Activity |
Ki = 240500 nM
|
[17] | |||
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 = 264000 nM
|
[6] | |||
Compound Name |
4-(Benzhydrylsulfinylmethyl)-2,3-dimethylthiophene
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL4096421; BDBM50250554
Click to Show/Hide
|
||||
Activity |
IC50 = 283600 nM
|
[4] | |||
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 = 302000 nM
|
[6] | |||
Compound Name |
Methyl 2-(biphenyl-4-yl)cycloheptanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL231684; BDBM50211020
Click to Show/Hide
|
||||
Activity |
Ki = 313000 nM
|
[6] | |||
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 = 335000 nM
|
[6] | |||
Compound Name |
1-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-propoxy)-naphthalen-2-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL325669; BDBM50148369
Click to Show/Hide
|
||||
Activity |
Ki = 353000 nM
|
[17] | |||
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 = 392000 nM
|
[6] | |||
Compound Name |
Methyl 2-(3-(trifluoromethyl)phenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL393701; BDBM50211018
Click to Show/Hide
|
||||
Activity |
Ki = 569000 nM
|
[6] | |||
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 = 590000 nM
|
[6] | |||
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 = 605000 nM
|
[6] | |||
Compound Name |
Methyl 2-phenylcyclohexene-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL234127; BDBM50211034
Click to Show/Hide
|
||||
Activity |
Ki = 630000 nM
|
[6] | |||
Compound Name |
Methyl 2-(4-tert-butylphenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL394089; BDBM50211007
Click to Show/Hide
|
||||
Activity |
Ki = 766000 nM
|
[6] | |||
Compound Name |
Methyl 2-(biphenyl-4-yl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL233532; BDBM50211028
Click to Show/Hide
|
||||
Activity |
Ki = 830000 nM
|
[6] | |||
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 = 884000 nM
|
[6] | |||
Compound Name |
Methyl 2-phenylcyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL233530; BDBM50211043
Click to Show/Hide
|
||||
Activity |
Ki = 975000 nM
|
[6] | |||
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 = 1050000 nM
|
[6] | |||
Compound Name |
Methyl 2-(4-tert-butylphenyl)cycloheptanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL234379; BDBM50211040
Click to Show/Hide
|
||||
Activity |
Ki = 1140000 nM
|
[6] | |||
Compound Name |
Methyl 2-(4-(trifluoromethoxy)phenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL442234; BDBM50211033
Click to Show/Hide
|
||||
Activity |
Ki = 1180000 nM
|
[6] | |||
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 = 1660000 nM
|
[6] | |||
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 = 2649000 nM
|
[6] | |||
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 = 2814000 nM
|
[17] | |||
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 = 3509000 nM
|
[17] | |||
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 = 7275000 nM
|
[17] | |||
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
|
[17] | |||
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
|
[17] | |||
Compound Name |
O-Methylcorypalline
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
N-Methylheliamine; 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline; 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline; ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-; N-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-; 6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE; CHEMBL555787; BRN 0011592; N-Methyl-corypalline; NSC280726; 5-21-04-00479 (Beilstein Handbook Reference); SCHEMBL5525085; CHEMBL1196025; CTK4D2283; DTXSID90168082; ZINC391550; BDBM50014648; AKOS015872575; MCULE-1979767083; NSC-280726; DS-011314; ST50405883; 3,4-dihydro-6,7-dimethoxy-2-methyl-isoquinoline; AE-508/40920516; 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-Isoquinoline; 1,2,3,4-Tetrahydroisoquinoline, 6,7-dimethoxy-N-methyl-; 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline #
Click to Show/Hide
|
||||
Activity |
Ki > 10000000 nM
|
[21] | |||
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 > 10000000 nM
|
[17] | |||
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 > 10000000 nM
|
[17] | |||
Compound Name |
Methyl 3-phenylbicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL396838
Click to Show/Hide
|
||||
Activity |
Ki = 1.55E+12 nM
|
[3] | |||
Compound Name |
Methyl 3-(4-phenylphenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL235625
Click to Show/Hide
|
||||
Activity |
Ki = 1.66E+12 nM
|
[3] | |||
Compound Name |
Methyl 3-phenyl-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL394470
Click to Show/Hide
|
||||
Activity |
Ki = 2.24E+12 nM
|
[3] | |||
Compound Name |
Methyl 3-(2-chlorophenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL396840
Click to Show/Hide
|
||||
Activity |
Ki = 2.69E+12 nM
|
[3] | |||
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 = 8.51E+12 nM
|
[3] | |||
Compound Name |
Methyl 3-(3-chlorophenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL393386
Click to Show/Hide
|
||||
Activity |
Ki = 9.55E+12 nM
|
[3] | |||
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 = 2.88E+13 nM
|
[3] | |||
Compound Name |
Methyl 3-(3-chlorophenyl)-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL236422
Click to Show/Hide
|
||||
Activity |
Ki = 2.95E+13 nM
|
[3] | |||
Compound Name |
Methyl 3-(4-chlorophenyl)-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL235189
Click to Show/Hide
|
||||
Activity |
Ki = 3.72E+13 nM
|
[3] | |||
Compound Name |
Methyl 3-(4-chlorophenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL396839
Click to Show/Hide
|
||||
Activity |
Ki = 3.98E+13 nM
|
[3] | |||
Compound Name |
Methyl 3-(4-phenylphenyl)-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL391911
Click to Show/Hide
|
||||
Activity |
Ki = 4.07E+13 nM
|
[3] | |||
Compound Name |
Methyl 3-(2,4-dichlorophenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL392927
Click to Show/Hide
|
||||
Activity |
Ki = 4.37E+13 nM
|
[3] | |||
Compound Name |
Methyl 3-(4-chlorophenyl)-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL235408
Click to Show/Hide
|
||||
Activity |
Ki = 5.50E+13 nM
|
[3] | |||
Compound Name |
Methyl 3-(2,3-dichlorophenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL235833
Click to Show/Hide
|
||||
Activity |
Ki = 6.76E+13 nM
|
[3] | |||
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 = 8.51E+13 nM
|
[3] | |||
Compound Name |
Methyl 3-(3,4-dichlorophenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL235626
Click to Show/Hide
|
||||
Activity |
Ki = 1.48E+14 nM
|
[3] | |||
Compound Name |
Methyl 3-naphthalen-2-ylbicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL391912
Click to Show/Hide
|
||||
Activity |
Ki = 2.34E+14 nM
|
[3] | |||
Compound Name |
Methyl 2-(naphthalen-2-yl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL396082; BDBM50211006
Click to Show/Hide
|
||||
Activity |
Ki = 2.40E+14 nM
|
[3] | |||
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 = 5.13E+14 nM
|
[3] | |||
Compound Name |
Methyl 3-naphthalen-2-yl-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL235409
Click to Show/Hide
|
||||
Activity |
Ki = 5.75E+14 nM
|
[3] | |||
Compound Name |
Methyl 3-(3,4-dichlorophenyl)-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
Synonyms |
CHEMBL396386
Click to Show/Hide
|
||||
Activity |
Ki = 9.12E+14 nM
|
[3] | |||
Click to Show/Hide the Information of All Non Binders |
References | Top | ||||
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REF 1 | LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake. Science. 2007 Sep 7;317(5843):1390-3. | ||||
REF 2 | 2,5-Disubstituted tetrahydrofurans as selective serotonin re-uptake inhibitors. Bioorg Med Chem. 2009 Mar 1;17(5):2047-68. | ||||
REF 3 | QSAR studies and pharmacophore identification for arylsubstituted cycloalkenecarboxylic acid methyl esters with affinity for the human dopamine transporter. Bioorg Med Chem. 2007 Aug 1;15(15):5262-74. | ||||
REF 4 | Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors. J Med Chem. 2017 Nov 22;60(22):9330-9348. | ||||
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, inhibition and binding of simple non-nitrogen inhibitors of monoamine transporters. Bioorg Med Chem. 2007 Jun 15;15(12):4159-74. | ||||
REF 7 | Dual inhibitors of phosphodiesterase-4 and serotonin reuptake. J Med Chem. 2009 Mar 26;52(6):1530-9. | ||||
REF 8 | Synthesis and monoamine transporter affinity of 3-aryl substituted trop-2-enes. Bioorg Med Chem Lett. 2005 Dec 15;15(24):5488-93. | ||||
REF 9 | Bioorg Med Chem Lett. 2009 Oct 15;19(20):5893-7. Epub 2009 Aug 21.Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: part 2. | ||||
REF 10 | The lignan (-)-hinokinin displays modulatory effects on human monoamine and GABA transporter activities. J Nat Prod. 2013 Oct 25;76(10):1889-95. | ||||
REF 11 | 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 12 | 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 13 | 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 14 | 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 15 | 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 16 | US patent application no. 9085531B2, Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ||||
REF 17 | Synthesis and biological activity of some known and putative duloxetine metabolites. Bioorg Med Chem Lett. 2004 Jul 5;14(13):3481-6. | ||||
REF 18 | 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 19 | chi-Conotoxin and tricyclic antidepressant interactions at the norepinephrine transporter define a new transporter model. J Biol Chem. 2007 Jun 15;282(24):17837-44. | ||||
REF 20 | A rhodamine-labeled citalopram analogue as a high-affinity fluorescent probe for the serotonin transporter. Bioorg Med Chem Lett. 2013 Jan 1;23(1):323-6. | ||||
REF 21 | Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine receptor antagonists. J Med Chem. 2013 Dec 12;56(23):9673-82. |
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