Found 142 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
5-hydroxytryptamine receptor 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
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
Reactome pathway KEGG
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| DrugBank Article PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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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 |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50185473
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(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 | UniProtKB/SwissProt
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| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned muscarinic M1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
Reactome pathway KEGG
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| DrugBank Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50262881
(1-(4-fluorophenyl)-4-(3-hydroxy-3-phenyl-8-aza-bic...)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(26)7-4-14-25-20-12-13-21(25)16-23(27,15-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,27H,4,7,12-16H2 | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
Reactome pathway KEGG
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| DrugBank Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
Reactome pathway KEGG
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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 |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(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 | UniProtKB/SwissProt
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| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned muscarinic M1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50185473
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2 | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50002334
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2 | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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Similars
| DrugBank Article PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
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Similars
| Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
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| Article PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(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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Similars
| DrugBank Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT6 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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| DrugBank Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(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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Similars
| DrugBank Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT6 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50262881
(1-(4-fluorophenyl)-4-(3-hydroxy-3-phenyl-8-aza-bic...)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(26)7-4-14-25-20-12-13-21(25)16-23(27,15-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,27H,4,7,12-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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 |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50155520
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| DrugBank Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50262881
(1-(4-fluorophenyl)-4-(3-hydroxy-3-phenyl-8-aza-bic...)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(26)7-4-14-25-20-12-13-21(25)16-23(27,15-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,27H,4,7,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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| DrugBank Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50002334
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50185473
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 27.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50002334
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 30.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50185473
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 30.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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| DrugBank Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50262881
(1-(4-fluorophenyl)-4-(3-hydroxy-3-phenyl-8-aza-bic...)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(26)7-4-14-25-20-12-13-21(25)16-23(27,15-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,27H,4,7,12-16H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 37.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50262930
(4-(3-(4-chlorophenyl)-3,9-diazabicyclo[4.2.1]nonan...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12| Show InChI InChI=1S/C23H26ClFN2O/c24-18-5-9-20(10-6-18)26-15-13-21-11-12-22(16-26)27(21)14-1-2-23(28)17-3-7-19(25)8-4-17/h3-10,21-22H,1-2,11-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 41.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 43.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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| Article PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
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Similars
| DrugBank Article PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | 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) | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar AffyNet
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Similars
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to rat NET |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
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| DrugBank Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(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
KEGG
UniProtKB/SwissProt
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| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
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Similars
| DrugBank Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 56.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(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
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT6 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50155520
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 90.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50002334
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(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 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned muscarinic M1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50061255
(1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50155520
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
KEGG
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| DrugBank Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50061255
(1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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
UniProtKB/SwissProt
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| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50262829
(1-(4-fluorophenyl)-4-(8-phenyl-3,8-diaza-bicyclo[3...)Show InChI InChI=1S/C22H25FN2O/c23-18-10-8-17(9-11-18)22(26)7-4-14-24-15-20-12-13-21(16-24)25(20)19-5-2-1-3-6-19/h1-3,5-6,8-11,20-21H,4,7,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50155520
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 159 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50262830
(4-[5-(4-Chloro-phenyl)-2,5-diaza-bicyclo[2.2.1]hep...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CC2CC1CN2c1ccc(Cl)cc1 |TLB:19:18:12.13:15,11:12:15:17.18| Show InChI InChI=1S/C21H22ClFN2O/c22-16-5-9-18(10-6-16)25-14-19-12-20(25)13-24(19)11-1-2-21(26)15-3-7-17(23)8-4-15/h3-10,19-20H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061255
(1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50262930
(4-(3-(4-chlorophenyl)-3,9-diazabicyclo[4.2.1]nonan...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12| Show InChI InChI=1S/C23H26ClFN2O/c24-18-5-9-20(10-6-18)26-15-13-21-11-12-22(16-26)27(21)14-1-2-23(28)17-3-7-19(25)8-4-17/h3-10,21-22H,1-2,11-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
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| DrugBank Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 189 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50262930
(4-(3-(4-chlorophenyl)-3,9-diazabicyclo[4.2.1]nonan...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12| Show InChI InChI=1S/C23H26ClFN2O/c24-18-5-9-20(10-6-18)26-15-13-21-11-12-22(16-26)27(21)14-1-2-23(28)17-3-7-19(25)8-4-17/h3-10,21-22H,1-2,11-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50262830
(4-[5-(4-Chloro-phenyl)-2,5-diaza-bicyclo[2.2.1]hep...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CC2CC1CN2c1ccc(Cl)cc1 |TLB:19:18:12.13:15,11:12:15:17.18| Show InChI InChI=1S/C21H22ClFN2O/c22-16-5-9-18(10-6-16)25-14-19-12-20(25)13-24(19)11-1-2-21(26)15-3-7-17(23)8-4-15/h3-10,19-20H,1-2,11-14H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 241 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 242 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50002334
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50155520
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| DrugBank Article PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 296 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT6 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
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Similars
| Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | 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 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to rat NET |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50061255
(1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 414 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 489 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 489 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D2 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 495 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2B receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50262830
(4-[5-(4-Chloro-phenyl)-2,5-diaza-bicyclo[2.2.1]hep...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CC2CC1CN2c1ccc(Cl)cc1 |TLB:19:18:12.13:15,11:12:15:17.18| Show InChI InChI=1S/C21H22ClFN2O/c22-16-5-9-18(10-6-16)25-14-19-12-20(25)13-24(19)11-1-2-21(26)15-3-7-17(23)8-4-15/h3-10,19-20H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50262930
(4-(3-(4-chlorophenyl)-3,9-diazabicyclo[4.2.1]nonan...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12| Show InChI InChI=1S/C23H26ClFN2O/c24-18-5-9-20(10-6-18)26-15-13-21-11-12-22(16-26)27(21)14-1-2-23(28)17-3-7-19(25)8-4-17/h3-10,21-22H,1-2,11-16H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 548 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50262829
(1-(4-fluorophenyl)-4-(8-phenyl-3,8-diaza-bicyclo[3...)Show InChI InChI=1S/C22H25FN2O/c23-18-10-8-17(9-11-18)22(26)7-4-14-24-15-20-12-13-21(16-24)25(20)19-5-2-1-3-6-19/h1-3,5-6,8-11,20-21H,4,7,12-16H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D3 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50262881
(1-(4-fluorophenyl)-4-(3-hydroxy-3-phenyl-8-aza-bic...)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(26)7-4-14-25-20-12-13-21(25)16-23(27,15-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,27H,4,7,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 635 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | 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 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to rat NET |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 772 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 851 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to rat NET |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 872 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned muscarinic M1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50185473
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 872 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50002334
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50061255
(1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 974 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50262930
(4-(3-(4-chlorophenyl)-3,9-diazabicyclo[4.2.1]nonan...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12| Show InChI InChI=1S/C23H26ClFN2O/c24-18-5-9-20(10-6-18)26-15-13-21-11-12-22(16-26)27(21)14-1-2-23(28)17-3-7-19(25)8-4-17/h3-10,21-22H,1-2,11-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50061255
(1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15| Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50185474
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(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
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT6 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50262929
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(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 | UniProtKB/SwissProt
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Patents
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| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned muscarinic M1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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| Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(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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| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT6 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | 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 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to rat NET |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50262829
(1-(4-fluorophenyl)-4-(8-phenyl-3,8-diaza-bicyclo[3...)Show InChI InChI=1S/C22H25FN2O/c23-18-10-8-17(9-11-18)22(26)7-4-14-24-15-20-12-13-21(16-24)25(20)19-5-2-1-3-6-19/h1-3,5-6,8-11,20-21H,4,7,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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
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| Article PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| DrugBank Article PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned dopamine D4 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50262930
(4-(3-(4-chlorophenyl)-3,9-diazabicyclo[4.2.1]nonan...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12| Show InChI InChI=1S/C23H26ClFN2O/c24-18-5-9-20(10-6-18)26-15-13-21-11-12-22(16-26)27(21)14-1-2-23(28)17-3-7-19(25)8-4-17/h3-10,21-22H,1-2,11-16H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(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 | UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
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| Article PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned muscarinic M1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50262930
(4-(3-(4-chlorophenyl)-3,9-diazabicyclo[4.2.1]nonan...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12| Show InChI InChI=1S/C23H26ClFN2O/c24-18-5-9-20(10-6-18)26-15-13-21-11-12-22(16-26)27(21)14-1-2-23(28)17-3-7-19(25)8-4-17/h3-10,21-22H,1-2,11-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50155520
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT1A receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(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
KEGG
UniProtKB/SwissProt
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| Article PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50002334
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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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 |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(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) | UniProtKB/SwissProt
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| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned muscarinic M1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | Reactome pathway
UniProtKB/TrEMBL
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| Article PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to rat NET |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(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
UniProtKB/SwissProt
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| Article PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT6 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50185473
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned histamine H1 receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50262881
(1-(4-fluorophenyl)-4-(3-hydroxy-3-phenyl-8-aza-bic...)Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(26)7-4-14-25-20-12-13-21(25)16-23(27,15-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,27H,4,7,12-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human cloned 5HT2C receptor |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(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
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
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| Article PubMed
| >1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | 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 | Reactome pathway
UniProtKB/TrEMBL
GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University
Curated by ChEMBL
| Assay Description Binding affinity to rat NET |
Bioorg Med Chem 16: 7291-301 (2008)
Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW |
More data for this Ligand-Target Pair | |