Found 50 hits Enz. Inhib. hit(s) with all data for entry = 4829 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM81490
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50130273
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM81490
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
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| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM81774
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r| Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM78433
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2 | PDB
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| 11.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
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| 14.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50130273
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 | PDB
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| 29.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50002338
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 | PDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM82246
(trans piflutixol-(E))Show SMILES OCCC1CCN(CC\C=C2/c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2/b19-2+ | PDB
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| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
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| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM82246
(trans piflutixol-(E))Show SMILES OCCC1CCN(CC\C=C2/c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2/b19-2+ | PDB
UniProtKB/SwissProt
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| PC cid
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| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM82248
(CAS_73445-63-3 | SCH 23388 (S-enantiomer))Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1 | PDB
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| 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| 217 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
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| 397 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
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| 432 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
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| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 835 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
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| 907 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM82248
(CAS_73445-63-3 | SCH 23388 (S-enantiomer))Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1 | PDB
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| 988 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
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| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM11638
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
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| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
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| 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM24183
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM24183
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM17657
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM81774
(CAS_15676-16-1 | SULPIRIDE,(+) | Sulpiride-S | Sul...)Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O |r| Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM11638
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50015720
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50015720
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM7966
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) | PDB
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM17657
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM7966
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) | PDB
Reactome pathway
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by PDSP Ki Database
| |
Life Sci 35: 1885-93 (1984)
Article DOI: 10.1016/0024-3205(84)90540-x
BindingDB Entry DOI: 10.7270/Q2JD4V9M |
More data for this
Ligand-Target Pair | |
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