Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50037140 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 2A
(Homo sapiens (Human)) | BDBM50001786
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) | PDB
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| Article
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
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| DrugBank
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards histamine H1 receptor |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | 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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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D2 |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | 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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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards Dopamine receptor D2 |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 4 receptor |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50017376
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3 | PDB
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| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity towards histamine H1 receptor |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
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| DrugBank
Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against Potassium channel HERG |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50001786
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against Potassium channel HERG |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | 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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PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against Potassium channel HERG |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against Potassium channel HERG |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50017376
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3 | PDB
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| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against Potassium channel HERG |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | 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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PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against Potassium channel HERG |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50117924
(1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-pipera...)Show SMILES CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2c(C)c1F)C1CC1 Show InChI InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26) | PDB
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against Potassium channel HERG |
J Med Chem 46: 2017-22 (2003)
Article DOI: 10.1021/jm0205651
BindingDB Entry DOI: 10.7270/Q2XD12C8 |
More data for this
Ligand-Target Pair | |
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