Found 112 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 |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50140757
(BMS-207940 | CHEMBL277447 | N-[2'-(3,4-Dimethyl-is...)Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CNC(=O)CC(C)(C)C)-c2ncco2)c1C Show InChI InChI=1S/C27H30N4O5S/c1-17-18(2)30-36-25(17)31-37(33,34)23-9-7-6-8-22(23)21-11-10-19(26-28-12-13-35-26)14-20(21)16-29-24(32)15-27(3,4)5/h6-14,31H,15-16H2,1-5H3,(H,29,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against Endothelin A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50133923
(4-Cyano-1-methoxy-naphthalene-2-carboxylic acid (1...)Show InChI InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26) | PDB
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| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity against Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50453799
(Niguldipine)Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards recombinant human alpha-1A adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB MMDB
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| Article PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50140762
(4-((S)-3,4-Difluoro-phenyl)-2-methoxymethyl-6-oxo-...)Show SMILES COCC1=C([C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C29H34F2N4O5/c1-39-17-23-25(29(38)40-2)24(19-7-8-20(30)21(31)16-19)26(28(37)34-23)27(36)33-12-5-13-35-14-9-18(10-15-35)22-6-3-4-11-32-22/h3-4,6-8,11,16,18,24,26H,5,9-10,12-15,17H2,1-2H3,(H,33,36)(H,34,37)/t24-,26?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards recombinant human alpha-1A adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
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 MMDB
Reactome pathway KEGG
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| Article PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB MMDB
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| Article PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(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
Reactome pathway KEGG
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| DrugBank Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50091105
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3 | PDB
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| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against Endothelin A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | 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
Reactome pathway KEGG
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| DrugBank Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D2 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(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 MMDB
KEGG
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| DrugBank Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibition of currents elicited by GABA at EC5 (6-12 uM) |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB MMDB
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| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human histamine H1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50140755
(CHEMBL428705 | N-(1-Benzyl-pyrrolidin-3-yl)-5-chlo...)Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D4 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB MMDB
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| DrugBank Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine receptor (nAChR) of rat brain |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| DrugBank Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human histamine H1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
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| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50140751
(2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]...)Show InChI InChI=1S/C20H26N4O/c1-14-13-19(22-23-20(14)17-7-2-3-8-18(17)25)21-11-12-24-15-5-4-6-16(24)10-9-15/h2-3,7-8,13,15-16,25H,4-6,9-12H2,1H3,(H,21,22) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards muscarinic M1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| DrugBank Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D2 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human histamine H1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB MMDB
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| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-1 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
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| DrugBank Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human histamine H1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S
(Rattus norvegicus-RAT) | BDBM50453799
(Niguldipine)Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1 | PDB
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| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human histamine H1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50140768
(5-Chloro-4-(cyclopropanecarbonyl-amino)-2-methoxy-...)Show SMILES COc1cccc(CN2CC[C@@H](C2)NC(=O)c2cc(Cl)c(NC(=O)C3CC3)cc2OC)c1 Show InChI InChI=1S/C24H28ClN3O4/c1-31-18-5-3-4-15(10-18)13-28-9-8-17(14-28)26-24(30)19-11-20(25)21(12-22(19)32-2)27-23(29)16-6-7-16/h3-5,10-12,16-17H,6-9,13-14H2,1-2H3,(H,26,30)(H,27,29)/t17-/m0/s1 | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity against human Dopamine receptor D4 versus hD2, hD3 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50050794
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-...)Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26) | PDB
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| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity against human Endothelin A receptor; orally active in vivo at 30 mg/kg, po |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(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
Reactome pathway KEGG
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| DrugBank Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D2 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
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| Article PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| DrugBank Article PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-2 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(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 PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
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| DrugBank Article PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D2 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | 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
Reactome pathway KEGG
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human dopamine-4.2 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB MMDB
KEGG
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| DrugBank Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
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| DrugBank Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
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| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D2 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
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| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human dopamine-4.2 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D2 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | 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 MMDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-1 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human histamine H1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human dopamine-4.2 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50140755
(CHEMBL428705 | N-(1-Benzyl-pyrrolidin-3-yl)-5-chlo...)Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)C1 Show InChI InChI=1S/C23H26ClN3O3/c1-30-21-12-20(26-22(28)16-7-8-16)19(24)11-18(21)23(29)25-17-9-10-27(14-17)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,25,29)(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity against Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | 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
UniProtKB/SwissProt
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| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB MMDB
KEGG
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| DrugBank Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibition of currents when compound wascoapplied with acetylcholine to recombinant Torpedo nAcChoR (from 6 oocytes) |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human muscarinic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human dopamine-4.2 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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| DrugBank Article PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human muscarinic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human dopamine-4.2 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human dopamine-4.2 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human dopamine-4.2 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50140763
(CHEMBL25564 | [2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-et...)Show InChI InChI=1S/C20H26N4/c1-15-14-19(22-23-20(15)16-6-3-2-4-7-16)21-12-13-24-17-8-5-9-18(24)11-10-17/h2-4,6-7,14,17-18H,5,8-13H2,1H3,(H,21,22) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards muscarinic M1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-1 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB MMDB
KEGG
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| DrugBank Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
KEGG
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| Article PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D1 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| DrugBank Article PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibition of currents elicited by GABA at EC5 (6-12 uM) |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D2 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50140750
(2-(4,6-Dimethoxy-pyrimidin-2-ylmethyl)-3-(4-methyl...)Show SMILES COc1cc(OC)nc(CC(C(O)=O)C(C)(Oc2ccc(SC)cc2)c2ccccc2)n1 Show InChI InChI=1S/C24H26N2O5S/c1-24(16-8-6-5-7-9-16,31-17-10-12-18(32-4)13-11-17)19(23(27)28)14-20-25-21(29-2)15-22(26-20)30-3/h5-13,15,19H,14H2,1-4H3,(H,27,28) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity against human Endothelin A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| DrugBank Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine receptor (nAChR) of rat brain |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(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 PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D1 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
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| DrugBank Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Ability to enhance currents from alpha-1-beta-2-gamma-2L-subunit of GABA receptor elicited by low concentrations of GABA |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50140761
(2-(4,6-Dimethoxy-pyrimidin-2-ylmethyl)-3-(4-isopro...)Show SMILES COc1cc(OC)nc(CC(C(O)=O)C(C)(Oc2ccc(cc2)C(C)C)c2ccccc2)n1 Show InChI InChI=1S/C26H30N2O5/c1-17(2)18-11-13-20(14-12-18)33-26(3,19-9-7-6-8-10-19)21(25(29)30)15-22-27-23(31-4)16-24(28-22)32-5/h6-14,16-17,21H,15H2,1-5H3,(H,29,30) | PDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity against human Endothelin A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
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| DrugBank Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D1 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | 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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| DrugBank Article PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D1 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D2 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
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| DrugBank Article PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D1 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| Article PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
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| DrugBank Article PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibition of currents elicited by GABA at EC5 (6-12 uM) |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| DrugBank Article PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D1 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human muscarinic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50140766
((5-Methyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-...)Show InChI InChI=1S/C17H22N4O/c1-14-13-16(18-7-8-21-9-11-22-12-10-21)19-20-17(14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,18,19) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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| Article PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards muscarinic M1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(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
Reactome pathway KEGG
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| Article PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human histamine H1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| DrugBank Article PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D1 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| Article PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D3 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | 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
Reactome pathway KEGG
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| Article PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human histamine H1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
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| Article PubMed
| 960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-2 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50050794
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-...)Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26) | PDB
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| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity against human Endothelin B receptor; orally active in vivo at 30 mg/kg, po |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human muscarinic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human dopamine-4.2 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(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 PubMed
| 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-2 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50140761
(2-(4,6-Dimethoxy-pyrimidin-2-ylmethyl)-3-(4-isopro...)Show SMILES COc1cc(OC)nc(CC(C(O)=O)C(C)(Oc2ccc(cc2)C(C)C)c2ccccc2)n1 Show InChI InChI=1S/C26H30N2O5/c1-17(2)18-11-13-20(14-12-18)33-26(3,19-9-7-6-8-10-19)21(25(29)30)15-22-27-23(31-4)16-24(28-22)32-5/h6-14,16-17,21H,15H2,1-5H3,(H,29,30) | PDB
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| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity against human Endothelin B receptor showed weak activity |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 3.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB
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| DrugBank Article PubMed
| 4.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human Dopamine receptor D1 |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | 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 MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 4.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human muscarinic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50140750
(2-(4,6-Dimethoxy-pyrimidin-2-ylmethyl)-3-(4-methyl...)Show SMILES COc1cc(OC)nc(CC(C(O)=O)C(C)(Oc2ccc(SC)cc2)c2ccccc2)n1 Show InChI InChI=1S/C24H26N2O5S/c1-24(16-8-6-5-7-9-16,31-17-10-12-18(32-4)13-11-17)19(23(27)28)14-20-25-21(29-2)15-22(26-20)30-3/h5-13,15,19H,14H2,1-4H3,(H,27,28) | PDB
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| Article PubMed
| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity against human Endothelin B receptor showed weak activity |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | 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
Reactome pathway KEGG
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| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(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 MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human muscarinic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human muscarinic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human muscarinic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | 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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| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-2 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50074289
((4-Methyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-...)Show InChI InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20) | UniProtKB/SwissProt
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards muscarinic M1 receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50091105
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3 | PDB
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| 1.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against endotheline ETB receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50102738
(CHEMBL1204162 | CHEMBL281799 | [2-(1-Benzyl-piperi...)Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1cc2Cc3ccccc3-c2nn1 Show InChI InChI=1S/C25H28N4/c1-2-6-20(7-3-1)18-29-14-11-19(12-15-29)10-13-26-24-17-22-16-21-8-4-5-9-23(21)25(22)28-27-24/h1-9,17,19H,10-16,18H2,(H,26,27) | UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50074277
(CHEMBL25412 | [2-(1-Benzyl-piperidin-4-yl)-ethyl]-...)Show SMILES C(CC1CCN(Cc2ccccc2)CC1)Nc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C24H28N4/c1-3-7-21(8-4-1)19-28-17-14-20(15-18-28)13-16-25-24-12-11-23(26-27-24)22-9-5-2-6-10-22/h1-12,20H,13-19H2,(H,25,27) | UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Enhancement of currents elicited by GABA at EC5 (6-12 uM) |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 1
(Cavia porcellus) | BDBM50099582
((3R,4S)N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluor...)Show SMILES CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50034435
(5-Dimethylamino-naphthalene-1-sulfonic acid (3,4-d...)Show InChI InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3 | PDB
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against Endothelin A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50034452
(4-Amino-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulf...)Show InChI InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against Endothelin A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50074276
(CHEMBL25264 | CHEMBL541350 | [4-(3,4-Dihydro-1H-is...)Show InChI InChI=1S/C23H26N4/c1-2-9-20(10-3-1)22-12-13-23(26-25-22)24-15-6-7-16-27-17-14-19-8-4-5-11-21(19)18-27/h1-5,8-13H,6-7,14-18H2,(H,24,26) | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration towards acetylcholinesterase in electric eel |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 1
(Cavia porcellus) | BDBM50106227
((3R,4S)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 1
(Cavia porcellus) | BDBM50099567
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50074265
((6-Phenyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)...)Show InChI InChI=1S/C17H22N4/c1-3-7-15(8-4-1)16-9-10-17(20-19-16)18-11-14-21-12-5-2-6-13-21/h1,3-4,7-10H,2,5-6,11-14H2,(H,18,20) | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 1
(Cavia porcellus) | BDBM50099567
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50027796
(2-(Sulfanilylamino)thiazole | 2-(p-Aminobenzenesul...)Show InChI InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against Endothelin A receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50074289
((4-Methyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-...)Show InChI InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20) | UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |