Found 12 hits of Enzyme Inhibition Constant Data 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
(Mus musculus (Mouse)) | 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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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Mus musculus (Mouse)) | BDBM50008782
(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1 | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Mus musculus (Mouse)) | BDBM50334150
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Service
Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Mus musculus (Mouse)) | 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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Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Mus musculus (Mouse)) | 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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| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Mus musculus (Mouse)) | BDBM81993
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28| Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1 | PDB
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Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
D(2) dopamine receptor
(Mus musculus (Mouse)) | BDBM81777
(CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594)Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22) | PDB
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Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Mus musculus (Mouse)) | 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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| 14.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Service
Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Mus musculus (Mouse)) | BDBM84637
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1 | PDB
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Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Mus musculus (Mouse)) | 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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| 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Service
Curated by PDSP Ki Database
| |
Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Mus musculus (Mouse)) | BDBM81924
((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...)Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3 | PDB
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| 5.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
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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| 8.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
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Mol Pharmacol 39: 570-8 (1991)
BindingDB Entry DOI: 10.7270/Q26M359X |
More data for this
Ligand-Target Pair | |
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