Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T78709 | Target Info | |||
| Target Name | 5-HT 1A receptor (HTR1A) | ||||
| Synonyms |
Serotonin receptor 1A; G-21; ADRBRL1; ADRB2RL1; 5-hydroxytryptamine receptor 1A; 5-HT1A receptor; 5-HT1A; 5-HT-1A
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| Target Type | Successful Target | ||||
| Gene Name | HTR1A | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 46 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Flavonoid derivative 4
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Patented | Compound Info | ||
| Synonyms |
PMID26394986-Compound-48
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| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
gingerol
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Investigative | Compound Info | ||
| Synonyms |
[6]-Gingerol; 6-Gingerol
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| Activity |
Ki ~ 100000 nM
|
[2] | |||
| Compound Name |
6-Chloro-3-(4-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL468176; BDBM50261729
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| Activity |
EC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
7-(4-Benzylpiperazin-1-yl)-10-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL54246; SCHEMBL8564666; BDBM50408161
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| Activity |
IC50 = 50118.72 nM
|
[4] | |||
| Compound Name |
Chembl4202520
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Investigative | Compound Info | ||
| Synonyms |
BDBM50457764
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| Activity |
Ki = 52010 nM
|
[5] | |||
| Compound Name |
Chembl4213576
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Investigative | Compound Info | ||
| Synonyms |
BDBM50459285
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| Activity |
Ki = 52610 nM
|
[6] | |||
| Compound Name |
7-(4-Benzylpiperazin-1-yl)-12-phenylmethoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL51675; SCHEMBL8563543; BDBM50408153
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| Activity |
IC50 = 54954.09 nM
|
[4] | |||
| Compound Name |
7-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-12-methoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL52800; SCHEMBL8565934; BDBM50408156
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| Activity |
IC50 = 56234.13 nM
|
[4] | |||
| Compound Name |
2-[4-[4-(6-Nitroquinolin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1945683; BDBM50363812
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| Activity |
Ki = 59000 nM
|
[7] | |||
| Compound Name |
7-[4-[(2,4-Dichlorophenyl)methyl]piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL50456; SCHEMBL8879665; BDBM50408158
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| Activity |
IC50 = 61659.5 nM
|
[4] | |||
| Compound Name |
Synephrine
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Investigative | Compound Info | ||
| Synonyms |
Oxedrine; p-Synephrine; Parasympatol; Sympaethamine; Sympatol; Sympaethamin; Analeptin; Simpatol; Simpalon; Synephrin; Synthenate; (+/-)-Synephrine; Sympathol; p-Oxedrine; 4-(1-Hydroxy-2-(methylamino)ethyl)phenol; Ethaphene; DL-SYNEPHRINE; 4-[1-Hydroxy-2-(methylamino)ethyl]phenol; Synefrin; 1-(4-Hydroxyphenyl)-N-methylethanolamine; 1-(4-Hydroxyphenyl)-2-methylaminoethanol; NSC 166285; (RS)-1-(4-Hydroxyphenyl)-2-(methylamino)ethanol; Synephrine (racemate); S 38537-9; 94-07-5 (racemate); NSC166285; 1-(4-Hydroxyphenyl)-(2-methylamino)ethanol; WLN: QR DYQ1M1; DSSTox_CID_10588; DSSTox_RID_78850; Synefrin [Czech]; DSSTox_GSID_30588; Pentedrin [German]; (R,S)-1-(4-Hydroxyphenyl)-2-(methylamino)ethanol; p-((Methylamino)ethanol)phenol; p-[(Methylamino)ethanol]phenol; Parakorper [German]; 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol; Parakorper; p-Hydroxyphenyl(methylamino)ethanol; p-Methylaminoethanolphenol; 1-[4-Hydroxyphenyl]-2-methylaminoethanol; SMR000059111; 1-(4-Hydroxyphenyl)-(N-methylethanol)amine; p-Hydroxyphenylmethylaminoethanol; 1-(4-hydroxyphenyl)-2-(methylamino)ethan-1-ol; Oxedrine [INN:BAN]; 4-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol; ((Methylamino)methyl)((4-hydroxyphenyl)carbinol); [(Methylamino)methyl][(4-hydroxyphenyl)carbinol]; SR-01000002983; EINECS 202-300-9; (+-)-N-Methyloctopamine; Methylaminomethyl(4-hydroxyphenyl)carbinol; MFCD00002370; (y)-Synephrine; Synephrine,(S); NCGC00016351-01; (?)-Synephrine; Oxedrine (BAN); (+/-)synephrine; (+,-)-Synephrine; NSC 170956; Synephrine (Oxedrine); Synephrine - Oxedrine; Prestwick0_001088; Prestwick1_001088; Prestwick2_001088; Prestwick3_001088; (.+/-.)-Synephrine; Lopac0_001085; BSPBio_001136; MLS000069435; MLS001424216; CHEMBL33720; SCHEMBL146500; SPBio_003028; Synephrine, analytical standard; (.+/-.)-N-Methyloctopamine; BPBio1_001250; DTXSID0030588; CTK2F4574; (+/-)-Synephrine, >=98%; HMS1571I18; HMS2052G09; HMS2098I18; HMS2233F20; HMS3263I12; HMS3264E11; HMS3369C13; HMS3394G09; HMS3656O09; HMS3715I18; HMS3884D15; Pharmakon1600-01506085; ALBB-025740; HY-N0132; Tox21_110390; Tox21_200962; Tox21_501085; BBL015111; BDBM50102660; CS0043; NSC170956; NSC759316; PDSP1_000167; PDSP2_000166; s2362; SBB063601; STK803113; AKOS004119915; AKOS016038542; Tox21_110390_1; CCG-101098; CCG-205162; DB09203; KS-5152; LP01085; MCULE-4991429316; NC00348; NSC-166285; NSC-170956; NSC-759316; SDCCGSBI-0051055.P003; NCGC00015924-03; NCGC00015924-04; NCGC00015924-05; NCGC00015924-06; NCGC00015924-08; NCGC00015924-09; NCGC00015924-12; NCGC00015924-13; NCGC00015924-25; NCGC00089788-02; NCGC00089788-03; NCGC00089788-04; NCGC00258515-01; NCGC00261770-01; (+)-[(methylamino)methyl]-Benzenemethano; BP-12742; SC-46736; ST095769; SBI-0051055.P002; AB0014348; AB00514040; CS-0007857; EU-0101085; FT-0618685; FT-0653012; N1706; S0232; SW197214-5; T5534; 4-[1-Hydroxy-2-(methylamino)ethyl]phenol #; 4-Hydroxy-a-(methylaminomethyl)benzyl alcohol; 94S075; C04548; D07148; S 0752; AB00384265_11; Q421351; Q-100668; SR-01000002983-3; SR-01000002983-7; SR-01000002983-8; W-100214; 7336264B-EDC9-42C5-939B-FF800AB5BB4A; Oxedrine; 4-Hydroxy-a-[(methylamino)methyl]-benzenemethanol
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| Activity |
Ki = 63000 nM
|
[8] | |||
| Compound Name |
8-(4-Benzylpiperazino)pyrido[2,3-h]pyrrolo[1,2-a]quinoxaline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL50740; BDBM50408154
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| Activity |
IC50 = 63095.73 nM
|
[4] | |||
| Compound Name |
8-Piperidin-1-yl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL63114; BDBM50407759
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| Activity |
IC50 = 64565.42 nM
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[9] | |||
| Compound Name |
4-(4-Benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL432897; SCHEMBL8569339; BDBM50408157
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| Activity |
IC50 = 89125.09 nM
|
[4] | |||
| Compound Name |
7-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-10-methyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL298649; SCHEMBL8570048; BDBM50408176
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| Activity |
IC50 = 97723.72 nM
|
[4] | |||
| Compound Name |
Hyperoside
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Investigative | Compound Info | ||
| Synonyms |
Hyperin; Quercetin 3-galactoside; Hyperosid; Hyperozide; Quercetin-3-O-galactoside; Hyperasid; Jyperin; Quercetin 3-O-beta-D-galactopyranoside; Quercetin 3-D-galactoside; UNII-8O1CR18L82; Quercetin-3-galactoside; Quercetin 3-beta-D-galactopyranoside; MFCD00016933; quercetin 3-O-galactoside; NSC 407304; CHEMBL251254; 8O1CR18L82; QUERCETIN 3-B-D-GALACTOSIDE; CCRIS 9339; p Hyperin; Quercetin 3-.beta.-D-galactopyranoside; Quercetin 3-O-.beta.-D-galactopyranoside; Hyperin,(S); Hyperin (8CI); quercetin-3-d-galactoside; BIDD:PXR0057; MLS000759538; 2-yloxy)-4H-chromen-4-one; jm5b01461, Compound 84; MEGxp0_000392; SCHEMBL1250514; ACon1_000623; Quercetin 3-O-beta-D-galactoside; BDBM429266; HMS2051H17; HY-N0452; quercetin 3-O--D-galactopyranoside; ZINC3973253; BDBM50241367; s5453; AKOS015896780; quercetin 3-O- -D-galactopyranoside; 6-(hydroxymethyl)tetrahydro-2H-pyran-; CCG-100970; MCULE-5363142212; NC00220; AS-56199; SC-43872; SMR000466394; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CS-0008982; N1838; A12070; C10073; Quercetin 3-D-galactoside, >=97.0% (HPLC); AB00639910-03; 3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-; 482H360; 3,3',4',5,7-Pentahydroxyflavone 3-D-galactoside; Hyperoside, primary pharmaceutical reference standard; Q-100530; Q5242815; BRD-K84955386-001-01-1; 3-O-b-D-Galactopyranosyloxy-3',4',5,7-tetrahydroxyflavone; Hyperoside, United States Pharmacopeia (USP) Reference Standard; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl hexopyranoside #
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| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
7-(4-Phenylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL51225; SCHEMBL8564159; BDBM50408172
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
Chembl4210128
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Investigative | Compound Info | ||
| Synonyms |
BDBM50454711
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| Activity |
EC50 ~ 100000 nM
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[10] | |||
| Compound Name |
8-(4-Benzylpiperazin-1-yl)-4-phenyl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL66540; SCHEMBL7298138; BDBM50407782
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| Activity |
IC50 ~ 100000 nM
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[9] | |||
| Compound Name |
Chembl4218526
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Investigative | Compound Info | ||
| Synonyms |
BDBM50454704
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| Activity |
EC50 ~ 100000 nM
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[10] | |||
| Compound Name |
Cacticin
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Investigative | Compound Info | ||
| Synonyms |
Isorhamnetin 3-O-galactoside; isohamnetin 3-O-galactoside; UNII-12KOU8P94F; 12KOU8P94F; CHEMBL516621; Isorhamnetin-3-O-galactoside; Isorhamnetol 3-o-galactoside; HY-N2082; BDBM50292372; MFCD29036636; ZINC31156122; Isorhamnetin 3-beta-D-galactopyranoside; isorhamnetin 3-O- -D-galactopyranoside; isorhamnetin 3-O-beta-D-galactopyranoside; CS-0018587; Q27145529; 3,4',5,7-Tetrahydroxy-3'-methoxyflavone 3-beta-D-galactopyranoside
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| Activity |
Ki ~ 100000 nM
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[8] | |||
| Compound Name |
Chembl4280940
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Investigative | Compound Info | ||
| Synonyms |
BDBM50464879; 3aalpha,4,5,6,7,7aalpha-Hexahydro-2-[4-[4-(6-fluoro-1,2-benzisoxazole-3-yl)piperidino]butyl]-4beta,7beta-methano-2H-isoindole-1,3-dione
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| Activity |
EC50 ~ 100000 nM
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[11] | |||
| Compound Name |
Chembl4284353
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Investigative | Compound Info | ||
| Synonyms |
BDBM50464896
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| Activity |
EC50 ~ 100000 nM
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[11] | |||
| Compound Name |
Chembl4205772
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Investigative | Compound Info | ||
| Synonyms |
BDBM50454710
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| Activity |
EC50 ~ 100000 nM
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[10] | |||
| Compound Name |
Rutaecarpine
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Investigative | Compound Info | ||
| Synonyms |
Rutecarpine; Rutacarpine; Rhetine; Rutaecarpin; C18H13N3O; UNII-8XZV289PRY; 8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one; 8XZV289PRY; Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-; CHEMBL85139; MFCD00210551; 8,13-Dihydro-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one; Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro-; SMR001230721; SR-01000076104; NSC 258317; 8,13-dihydro-Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one; Rutaecarpine,(S); Rutecarpine (8CI); Lopac-R-3277; Rutaecarpine (Rutecarpine); UPCMLD-DP040; Lopac0_001091; Oprea1_313284; cid_65752; MLS002153304; MLS006011796; SCHEMBL288507; Rutaecarpine, >98% (HPLC); UPCMLD-DP040:001; DTXSID00232884; HMS2233M24; HMS3263K04; HMS3374B10; HMS3656C09; HMS3884P13; ZINC898237; ALBB-028246; BCP21309; HY-N0147; Tox21_501091; BBL028393; BDBM50131046; NSC258317; s2349; STL146385; AKOS005720935; CCG-205168; CS-6160; GS-3618; LP01091; MCULE-8799347749; NSC-258317; SDCCGSBI-0051061.P002; SMP2_000103; NCGC00015892-01; NCGC00015892-02; NCGC00015892-03; NCGC00015892-04; NCGC00015892-05; NCGC00015892-06; NCGC00015892-07; NCGC00015892-08; NCGC00015892-13; NCGC00094364-01; NCGC00094364-03; NCGC00094364-04; NCGC00261776-01; AK168161; NCI60_002069; 1,1'-Hexamethylenebis (3,3-dimethylurea); AB0019845; EU-0101091; FT-0653229; N1344; R0102; SW220226-1; V0371; C09238; J10443; R 3277; 210R551; Q-100850; SR-01000076104-2; SR-01000076104-6; Q15424771; Indolo[2',4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-; 8,13-Dihydro-7H-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one; 6,7-[Imino(1,2-phenylene)]-8,9-dihydro-11H-pyrido[2,1-b]quinazoline-11-one; Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro- (9CI)
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| Activity |
Ki ~ 100000 nM
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[8] | |||
| Compound Name |
Limonin
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Investigative | Compound Info | ||
| Synonyms |
Dictamnolactone; Obaculactone; Citrolimonin; Evodin; Limonine; Limoni; 7,16-Dioxo-7,16-dideoxylimondiol; Limonoic acid, di-delta-lactone; UNII-L0F260866S; NSC 36508; Limonoate D-ring-lactone; MFCD00075922; L0F260866S; limonoic acid 3,19:16,17-dilactone; DSSTox_CID_25985; DSSTox_RID_81273; DSSTox_GSID_45985; Evodia fruit; Limone; AI3-37932; 3-furyl(tetramethyl)[?]trione; NSC36508; CCRIS 4047; NCGC00095714-01; Spectrum2_001728; Spectrum3_001012; Spectrum4_001140; Spectrum5_000935; Limonin, analytical standard; BSPBio_002763; KBioGR_001659; Limonoic acid di-del.-lactone; SCHEMBL320315; SPECTRUM1800018; SPBio_001776; CHEMBL517449; DTXSID8045985; ACon1_001996; KBio3_001983; Limonoic acid di-.delta.-lactone; ZINC4096134; Tox21_111513; BDBM50418089; CCG-38796; AKOS015965307; Tox21_111513_1; AC-8045; CS-1237; SDCCGMLS-0066837.P001; NCGC00178483-01; NCGC00178483-02; NCGC00178483-04; NCGC00178483-05; NCGC00263659-01; AS-15249; HY-17411; SC-13316; AB0016554; L0258; Limonin, from citrus seeds, >90% (HPLC); N1349; S2319; C03514; W-5068; 180L718; Q-100083; Q2398745; BRD-K05906022-001-03-6; BRD-K05906022-001-05-1
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| Activity |
Ki ~ 100000 nM
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[8] | |||
| Compound Name |
4-Phenyl-8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL293219; SCHEMBL7296823; BDBM50407775
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| Activity |
IC50 ~ 100000 nM
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[9] | |||
| Compound Name |
(1S,12S)-23,23-Dimethyl-5,7,17-trioxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene;chloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL538357
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| Activity |
EC50 ~ 100000 nM
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[1] | |||
| Compound Name |
Pseudoprotopine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL486179; CTK4F3162; DTXSID00178935; BDBM50377937; ZINC31502517; MCULE-2865552640; NCGC00385257-01; 7,13a-Secoberbin-13a-one, 7-methyl-2,3:10,11-bis(methylenedioxy)-
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| Activity |
EC50 ~ 100000 nM
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[1] | |||
| Compound Name |
8-[(1-Ethylpiperidin-4-yl)methoxy]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL511312; BDBM50413522
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| Activity |
IC50 ~ 100000 nM
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[12] | |||
| Compound Name |
Chembl4282051
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Investigative | Compound Info | ||
| Synonyms |
BDBM50464895
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| Activity |
EC50 ~ 100000 nM
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[11] | |||
| Compound Name |
7,12-Bis(4-benzylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL53195; SCHEMBL8570453; BDBM50408169
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
Ethyl 4-(2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperazine-1-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL52007; SCHEMBL8566903; BDBM50408160; 4-[4-(Ethoxycarbonyl)piperazine-1-yl]-5,9,9b-triaza-9bH-benzo[e]indene
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Chembl4217039
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Investigative | Compound Info | ||
| Synonyms |
BDBM50454703
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| Activity |
EC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
8-(4-Phenylpiperidin-1-yl)-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL63588; SCHEMBL7297168; BDBM50407778
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| Activity |
IC50 ~ 100000 nM
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[9] | |||
| Compound Name |
4-Phenyl-8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL64559; SCHEMBL7298088; BDBM50407770
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
8-(4-Phenylpiperazin-1-yl)-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL302104; SCHEMBL7297117; BDBM50407793
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
4-(4-Benzylpiperazin-1-yl)-7-chloropyrrolo[1,2-a]quinoxaline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL299634; SCHEMBL8566281; BDBM50408162; 4-(4-Benzylpiperazine-1-yl)-7-chloro-5,9b-diaza-9bH-benzo[e]indene
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Chembl4204832
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454712
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
Chembl4213586
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454705
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
8-[4-(4-Chlorophenyl)piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL66310; SCHEMBL7303793; BDBM50407781
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
l-Evodiamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL486598; ZINC2031813; BDBM50366821
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
Chembl4209705
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50454715
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
(4-Fluorophenyl)-[4-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl)piperazin-1-yl]methanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL417570; BDBM50407764
Click to Show/Hide
|
||||
| Activity |
IC50 = 102329.3 nM
|
[9] | |||
| Compound Name |
8-(4-Benzylpiperazin-1-yl)-4,5-dimethyl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL62612; BDBM50407751
Click to Show/Hide
|
||||
| Activity |
IC50 = 125892.54 nM
|
[9] | |||
| Compound Name |
Chembl4166667
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50378181; AKOS002630646; MCULE-1387401668
Click to Show/Hide
|
||||
| Activity |
Ki = 195600 nM
|
[13] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 41 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
ABT-724
Click to Show/Hide
|
Discontinued in Phase 2 | Compound Info | ||
| Synonyms |
2-[4-(2-Pyridyl)piperazin-1-ylmethyl]-1H-benzimidazole maleate
Click to Show/Hide
|
||||
| Activity |
Ki = 2780000 nM
|
[14] | |||
| Compound Name |
8-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL66307; SCHEMBL7296930; BDBM50407776
Click to Show/Hide
|
||||
| Activity |
IC50 = 204173.79 nM
|
[9] | |||
| Compound Name |
Chembl4174981
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50378186; STK786870; AKOS005621935; MCULE-8100586895; 3-benzyl-2-phenyl-5-(2-pyridylamino)-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one; 3-benzyl-2-phenyl-5-(pyridin-2-ylamino)-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
Click to Show/Hide
|
||||
| Activity |
Ki = 284100 nM
|
[13] | |||
| Compound Name |
Chembl4166092
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50378180
Click to Show/Hide
|
||||
| Activity |
Ki = 330400 nM
|
[13] | |||
| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(2''-pyrimidyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL456675; BDBM50275196
Click to Show/Hide
|
||||
| Activity |
Ki = 331000 nM
|
[15] | |||
| Compound Name |
Chembl4288077
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
Ki = 377500 nM
|
[16] | |||
| Compound Name |
8-(4-Benzylpiperazin-1-yl)-4-phenyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL66408; SCHEMBL7294021; BDBM50407779
Click to Show/Hide
|
||||
| Activity |
IC50 = 389045.14 nM
|
[9] | |||
| Compound Name |
Chembl4283960
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
Ki = 413200 nM
|
[16] | |||
| Compound Name |
8-(3,6-Dihydro-2H-pyridin-1-yl)-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL65212; SCHEMBL7302550; BDBM50407757
Click to Show/Hide
|
||||
| Activity |
IC50 = 457088.19 nM
|
[9] | |||
| Compound Name |
4-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(2''-pyrimidyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL487760; BDBM50275218
Click to Show/Hide
|
||||
| Activity |
Ki = 558000 nM
|
[15] | |||
| Compound Name |
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(2''-pyrimidil)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL456674; BDBM50275195
Click to Show/Hide
|
||||
| Activity |
Ki = 656000 nM
|
[15] | |||
| Compound Name |
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(3''-chlorophenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL515853; SCHEMBL4181085; BDBM50275061
Click to Show/Hide
|
||||
| Activity |
Ki = 686000 nM
|
[15] | |||
| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(2''-methoxyphenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL456647; SCHEMBL4189432; BDBM50275138
Click to Show/Hide
|
||||
| Activity |
Ki = 756000 nM
|
[15] | |||
| Compound Name |
2{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(4''-fluorophenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL458992; SCHEMBL4172184; BDBM50275165
Click to Show/Hide
|
||||
| Activity |
Ki = 783000 nM
|
[15] | |||
| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(4''-fluorophenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL457921; SCHEMBL4176822; BDBM50275166
Click to Show/Hide
|
||||
| Activity |
Ki = 800000 nM
|
[15] | |||
| Compound Name |
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(2''-methoxyphenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL516334; SCHEMBL4317685; BDBM50275163
Click to Show/Hide
|
||||
| Activity |
Ki = 1092000 nM
|
[15] | |||
| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-(3,4-dihydroisoquinoline)
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL485720; BDBM50275251
Click to Show/Hide
|
||||
| Activity |
Ki = 1124000 nM
|
[15] | |||
| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(3''-chlorophenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL458792; SCHEMBL4179477; BDBM50275099; 1-(3-chlorophenyl)-4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazine
Click to Show/Hide
|
||||
| Activity |
Ki = 1130000 nM
|
[15] | |||
| Compound Name |
2{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(2''-methoxyphenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL514286; SCHEMBL4186798; BDBM50275137
Click to Show/Hide
|
||||
| Activity |
Ki = 1241000 nM
|
[15] | |||
| Compound Name |
4-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(3''-trifluoromethylphenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL457889; SCHEMBL4168989; BDBM50275100
Click to Show/Hide
|
||||
| Activity |
Ki = 1308000 nM
|
[15] | |||
| Compound Name |
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-(3,4-dihydroisoquinoline)
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL521025; BDBM50275250
Click to Show/Hide
|
||||
| Activity |
Ki = 1310000 nM
|
[15] | |||
| Compound Name |
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-(3,4-dihydroisoquinoline)
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL485918; BDBM50275252
Click to Show/Hide
|
||||
| Activity |
Ki = 1331000 nM
|
[15] | |||
| Compound Name |
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(3''-trifluoromethyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL457891; SCHEMBL4183345; BDBM50275102
Click to Show/Hide
|
||||
| Activity |
Ki = 1409000 nM
|
[15] | |||
| Compound Name |
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(3''-trifluoromethylphenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL457899; SCHEMBL4186793; BDBM50275135
Click to Show/Hide
|
||||
| Activity |
Ki = 2874000 nM
|
[15] | |||
| Compound Name |
1-[2-Hydroxy-3-methyl-4-[[4-[4-(2H-tetrazol-5-yl)pyridin-2-yl]oxyphenyl]methoxy]phenyl]ethanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3899832; SCHEMBL3163790; BDBM50207400
Click to Show/Hide
|
||||
| Activity |
Ki > 3020000 nM
|
[17] | |||
| Compound Name |
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(3''-trifluoromethylphenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL459158; SCHEMBL4179806; BDBM50275136
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
6,7-Dimethoxy-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-3,4-dihydro-1H-isoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL486336; BDBM50275283; 2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-(6,7-dimethoxy-3,4-dihydroisoquinoline)
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
6,7-Dimethoxy-2-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]-3,4-dihydro-1H-isoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL485727; BDBM50275285; 4-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-(6,7-dimethoxy-3,4-dihydroisoquinoline)
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
4-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(N-methyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL486534; BDBM50275248
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
6,7-Dimethoxy-2-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]-3,4-dihydro-1H-isoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL486337; BDBM50275284; 3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-(6,7-dimethoxy-3,4-dihydroisoquinoline)
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(4''-fluorophenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL456673; SCHEMBL4182261; BDBM50275193
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-4-(3''-chlorophenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL457890; BDBM50275101
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-4-(2''-pyrimidyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL487761; BDBM50275219
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
1-[3-[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]propyl]-4-methylpiperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL518931; SCHEMBL4180271; BDBM50275221; 3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(3''-methyl)piperazine
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
6,7-Dimethoxy-2-[5-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]pentyl]-3,4-dihydro-1H-isoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL519547; BDBM50275324; 5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-(6,7-dimethoxy-3,4-dihydroisoquinoline)
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(N-methyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL487960; BDBM50275220
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-4-(N-methyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL485719; BDBM50275249
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-4-(2''-methoxyphenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL458991; BDBM50275164
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-(3,4-dihydroisoquinoline)
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL519228; BDBM50275282
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-4-(4''-fluorophenyl)piperazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL514098; BDBM50275194
Click to Show/Hide
|
||||
| Activity |
Ki > 5000000 nM
|
[15] | |||
| Compound Name |
5-Fluoro-2alpha-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidino]indan-1beta-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL51457; SCHEMBL6964807; BDBM50396146; (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-fluoro-2,3-dihydro-1H-inden-1-ol
Click to Show/Hide
|
||||
| Activity |
Ki = 436515832.2 nM
|
[18] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Alkaloids from Eschscholzia californica and their capacity to inhibit binding of [3H]8-Hydroxy-2-(di-N-propylamino)tetralin to 5-HT1A receptors in ... J Nat Prod. 2006 Mar;69(3):432-5. | ||||
| REF 2 | Identification of serotonin 5-HT1A receptor partial agonists in ginger. Bioorg Med Chem. 2010 May 1;18(9):3345-51. | ||||
| REF 3 | Structural modifications of N-arylamide oxadiazoles: Identification of N-arylpiperidine oxadiazoles as potent and selective agonists of CB2. Bioorg Med Chem Lett. 2008 Aug 1;18(15):4267-74. | ||||
| REF 4 | Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines. J Med Chem. 1997 Jun 6;40(12):1808-19. | ||||
| REF 5 | Spiro[pyrrolidine-3,3'-oxindoles] as 5-HT 7 receptor ligands. Bioorg Med Chem Lett. 2018 Aug 1;28(14):2418-2421. | ||||
| REF 6 | Amino Acid Hot Spots of Halogen Bonding: A Combined Theoretical and Experimental Case Study of the 5-HT 7 Receptor. J Med Chem. 2018 Oct 11;61(19):8717-8733. | ||||
| REF 7 | Synthesis, in vitro binding studies and docking of long-chain arylpiperazine nitroquipazine analogues, as potential serotonin transporter inhibitors. Eur J Med Chem. 2012 Mar;49:200-10. | ||||
| REF 8 | Two 5-HT1A?Receptor-Interactive Tryptamine Derivatives from the Unripe Fruit of?Evodia?rutaecarpa. J Nat Prod. 1997;60(11):1196-8. | ||||
| REF 9 | Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines. J Med Chem. 1996 May 10;39(10):2068-80. | ||||
| REF 10 | Synthesis and biological evaluation of a series of novel pyridinecarboxamides as potential multi-receptor antipsychotic drugs. Bioorg Med Chem Lett. 2018 Feb 15;28(4):606-611. | ||||
| REF 11 | Synthesis and biological evaluation of a series of multi-target N-substituted cyclic imide derivatives with potential antipsychotic effect. Eur J Med Chem. 2018 Feb 10;145:74-85. | ||||
| REF 12 | Novel antagonists of serotonin-4 receptors: synthesis and biological evaluation of pyrrolothienopyrazines. Bioorg Med Chem. 2009 Mar 15;17(6):2607-22. | ||||
| REF 13 | Structural insights into serotonin receptor ligands polypharmacology. Eur J Med Chem. 2018 May 10;151:797-814. | ||||
| REF 14 | Discovery of 2-(4-pyridin-2-ylpiperazin-1-ylmethyl)-1H-benzimidazole (ABT-724), a dopaminergic agent with a novel mode of action for the potential treatment of erectile dysfunction. J Med Chem. 2004 Jul 15;47(15):3853-64. | ||||
| REF 15 | 2-[(3-Methoxyphenylethyl)phenoxy]-based ABCB1 inhibitors: effect of different basic side-chains on their biological properties. J Med Chem. 2008 Dec 11;51(23):7602-13. | ||||
| REF 16 | The role of aryl-topology in balancing between selective and dual 5-HT 7 R/5-HT 1A actions of 3,5-substituted hydantoins. Medchemcomm. 2018 May 8;9(6):1033-1044. | ||||
| REF 17 | Discovery of dual positive allosteric modulators (PAMs) of the metabotropic glutamate 2 receptor and CysLT1 antagonists for treating migraine headache. Bioorg Med Chem Lett. 2017 Jan 15;27(2):323-328. | ||||
| REF 18 | Mitigating heterocycle metabolism in drug discovery. J Med Chem. 2012 Jul 12;55(13):6002-20. | ||||
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