Found 35 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 |
|---|
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM30704
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13 Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50073682
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM21392
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | 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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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50073682
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3 | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM30704
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13 Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM21392
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50005835
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 | PDB
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| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | 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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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50073682
(CHEMBL1278 | N-methyl-2-(3-(1-methylpiperiden-4-yl...)Show InChI InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3 | PDB
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| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM30704
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13 Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1 | PDB
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| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM85167
(CP 122288 | CP-122288 | N-Methyl-3-[[(2R)-1-methyl...)Show SMILES CN[S](=O)(=O)Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 Show InChI InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM85167
(CP 122288 | CP-122288 | N-Methyl-3-[[(2R)-1-methyl...)Show SMILES CN[S](=O)(=O)Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 Show InChI InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM85167
(CP 122288 | CP-122288 | N-Methyl-3-[[(2R)-1-methyl...)Show SMILES CN[S](=O)(=O)Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1 Show InChI InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50005835
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | 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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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM21393
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3 | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50005835
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50001775
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | PDB
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | 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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| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50001775
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | PDB
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| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50001775
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | PDB
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| 289 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM21393
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3 | PDB
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| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM21393
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3 | PDB
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| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | 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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| 2.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | 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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| 4.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997)
Article DOI: 10.1007/pl00005058
BindingDB Entry DOI: 10.7270/Q2G44NTG |
More data for this
Ligand-Target Pair | |
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