Found 21 hits Enz. Inhib. hit(s) with all data for entry = 4734 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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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
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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| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
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 |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
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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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
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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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
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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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
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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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM50019848
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13) | PDB
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| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
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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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM35256
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
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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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
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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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM50016897
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic 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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| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM35256
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | PDB
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| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic 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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| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic 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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| 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50016897
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM81926
(Aminoclonidine, p | CAS_66711-21-5 | NSC_51763 | p...)Show InChI InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic 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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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50019848
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Veterans Affairs Medical Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 252: 1108-16 (1990)
BindingDB Entry DOI: 10.7270/Q2TD9VV5 |
More data for this
Ligand-Target Pair | |
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