Found 125 hits with Last Name = 'eyrolles' and Initial = 'l' 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 |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM31883
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoic acid receptor-gamma |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoic acid receptor-gamma |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway KEGG
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM31883
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ | PDB MMDB
NCI pathway 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 |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoic acid receptor-alpha |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoid X receptor-beta |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM31883
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoic acid receptor-beta |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Selective activity of the compound towards retinoid X receptor-beta |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50061625
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoic acid receptor-alpha |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(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 | PDB
Reactome pathway KEGG
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| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at serotonin 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-gamma
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Selective activity of the compound towards retinoid X receptor-gamma |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway KEGG
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| DrugBank PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D2L expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-gamma
(Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoid X receptor-gamma |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM31892
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoid X receptor-alpha |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Selective activity of the compound towards retinoid X receptor-alpha |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50040250
(8-Chloro-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]p...)Show SMILES CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C17H18ClN5/c1-22-7-9-23(10-8-22)17-13-11-12(18)4-5-14(13)20-16-15(21-17)3-2-6-19-16/h2-6,11H,7-10H2,1H3,(H,19,20) | PDB
Reactome pathway KEGG
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DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50061625
(4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...)Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26) | PDB MMDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoic acid receptor-beta |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120943
(6-(4-Cyclohexyl-piperazin-1-yl)-8-methyl-11H-benzo...)Show SMILES Cc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1 |t:13| Show InChI InChI=1S/C23H29N5/c1-17-9-10-20-19(16-17)23(26-21-8-5-11-24-22(21)25-20)28-14-12-27(13-15-28)18-6-3-2-4-7-18/h5,8-11,16,18H,2-4,6-7,12-15H2,1H3,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120934
((8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(8-methyl-...)Show SMILES Cc1ccc2Nc3ncccc3N=C(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1 |t:13| Show InChI InChI=1S/C27H29N5/c1-18-9-12-24-23(14-18)26(31-25-8-5-13-28-27(25)30-24)29-20-15-21-10-11-22(16-20)32(21)17-19-6-3-2-4-7-19/h2-9,12-14,20-22H,10-11,15-17H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120925
(8-Chloro-6-(4-cyclohexyl-piperazin-1-yl)-11H-benzo...)Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1 |t:13| Show InChI InChI=1S/C22H26ClN5/c23-16-8-9-19-18(15-16)22(26-20-7-4-10-24-21(20)25-19)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50040250
(8-Chloro-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]p...)Show SMILES CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C17H18ClN5/c1-22-7-9-23(10-8-22)17-13-11-12(18)4-5-14(13)20-16-15(21-17)3-2-6-19-16/h2-6,11H,7-10H2,1H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at serotonin 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120938
((8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(8-chloro-...)Show SMILES Clc1ccc2Nc3ncccc3N=C(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1 |t:13| Show InChI InChI=1S/C26H26ClN5/c27-18-8-11-23-22(13-18)25(31-24-7-4-12-28-26(24)30-23)29-19-14-20-9-10-21(15-19)32(20)16-17-5-2-1-3-6-17/h1-8,11-13,19-21H,9-10,14-16H2,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120921
(8-Methyl-6-(4-phenethyl-piperazin-1-yl)-11H-benzo[...)Show SMILES Cc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C25H27N5/c1-19-9-10-22-21(18-19)25(28-23-8-5-12-26-24(23)27-22)30-16-14-29(15-17-30)13-11-20-6-3-2-4-7-20/h2-10,12,18H,11,13-17H2,1H3,(H,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50040245
(8-Methyl-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]p...)Show InChI InChI=1S/C18H21N5/c1-13-5-6-15-14(12-13)18(23-10-8-22(2)9-11-23)21-16-4-3-7-19-17(16)20-15/h3-7,12H,8-11H2,1-2H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50040245
(8-Methyl-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]p...)Show InChI InChI=1S/C18H21N5/c1-13-5-6-15-14(12-13)18(23-10-8-22(2)9-11-23)21-16-4-3-7-19-17(16)20-15/h3-7,12H,8-11H2,1-2H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at serotonin 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50120921
(8-Methyl-6-(4-phenethyl-piperazin-1-yl)-11H-benzo[...)Show SMILES Cc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C25H27N5/c1-19-9-10-22-21(18-19)25(28-23-8-5-12-26-24(23)27-22)30-16-14-29(15-17-30)13-11-20-6-3-2-4-7-20/h2-10,12,18H,11,13-17H2,1H3,(H,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50120945
(8-Chloro-6-(4-phenethyl-piperazin-1-yl)-11H-benzo[...)Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C24H24ClN5/c25-19-8-9-21-20(17-19)24(28-22-7-4-11-26-23(22)27-21)30-15-13-29(14-16-30)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2,(H,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50120932
((1-Benzyl-piperidin-4-yl)-(8-methyl-11H-benzo[e]py...)Show SMILES Cc1ccc2Nc3ncccc3N=C(NC3CCN(Cc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C25H27N5/c1-18-9-10-22-21(16-18)24(29-23-8-5-13-26-25(23)28-22)27-20-11-14-30(15-12-20)17-19-6-3-2-4-7-19/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H,26,28)(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120932
((1-Benzyl-piperidin-4-yl)-(8-methyl-11H-benzo[e]py...)Show SMILES Cc1ccc2Nc3ncccc3N=C(NC3CCN(Cc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C25H27N5/c1-18-9-10-22-21(16-18)24(29-23-8-5-13-26-25(23)28-22)27-20-11-14-30(15-12-20)17-19-6-3-2-4-7-19/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H,26,28)(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50120925
(8-Chloro-6-(4-cyclohexyl-piperazin-1-yl)-11H-benzo...)Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1 |t:13| Show InChI InChI=1S/C22H26ClN5/c23-16-8-9-19-18(15-16)22(26-20-7-4-10-24-21(20)25-19)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at serotonin 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor beta
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Selective activity of the compound towards retinoic acid receptor-beta |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM31883
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
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| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoid X receptor-beta |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120939
((1-Benzyl-piperidin-4-yl)-(8-chloro-11H-benzo[e]py...)Show SMILES Clc1ccc2Nc3ncccc3N=C(NC3CCN(Cc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C24H24ClN5/c25-18-8-9-21-20(15-18)23(29-22-7-4-12-26-24(22)28-21)27-19-10-13-30(14-11-19)16-17-5-2-1-3-6-17/h1-9,12,15,19H,10-11,13-14,16H2,(H,26,28)(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50120943
(6-(4-Cyclohexyl-piperazin-1-yl)-8-methyl-11H-benzo...)Show SMILES Cc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1 |t:13| Show InChI InChI=1S/C23H29N5/c1-17-9-10-20-19(16-17)23(26-21-8-5-11-24-22(21)25-20)28-14-12-27(13-15-28)18-6-3-2-4-7-18/h5,8-11,16,18H,2-4,6-7,12-15H2,1H3,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50120939
((1-Benzyl-piperidin-4-yl)-(8-chloro-11H-benzo[e]py...)Show SMILES Clc1ccc2Nc3ncccc3N=C(NC3CCN(Cc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C24H24ClN5/c25-18-8-9-21-20(15-18)23(29-22-7-4-12-26-24(22)28-21)27-19-10-13-30(14-11-19)16-17-5-2-1-3-6-17/h1-9,12,15,19H,10-11,13-14,16H2,(H,26,28)(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120945
(8-Chloro-6-(4-phenethyl-piperazin-1-yl)-11H-benzo[...)Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C24H24ClN5/c25-19-8-9-21-20(17-19)24(28-22-7-4-11-26-23(22)27-21)30-15-13-29(14-16-30)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2,(H,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50120928
(6-(4-Benzyl-piperazin-1-yl)-8-chloro-11H-benzo[e]p...)Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(Cc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C23H22ClN5/c24-18-8-9-20-19(15-18)23(27-21-7-4-10-25-22(21)26-20)29-13-11-28(12-14-29)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2,(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50120938
((8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(8-chloro-...)Show SMILES Clc1ccc2Nc3ncccc3N=C(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1 |t:13| Show InChI InChI=1S/C26H26ClN5/c27-18-8-11-23-22(13-18)25(31-24-7-4-12-28-26(24)30-23)29-19-14-20-9-10-21(15-19)32(20)16-17-5-2-1-3-6-17/h1-8,11-13,19-21H,9-10,14-16H2,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-gamma
(Homo sapiens (Human)) | BDBM31883
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoid X receptor-gamma |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120941
((8-Chloro-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6...)Show SMILES CN1CCC(CC1)NC1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:9| Show InChI InChI=1S/C18H20ClN5/c1-24-9-6-13(7-10-24)21-17-14-11-12(19)4-5-15(14)22-18-16(23-17)3-2-8-20-18/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,20,22)(H,21,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor gamma
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Selective activity of the compound towards retinoic acid receptor-gamma |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50120934
((8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(8-methyl-...)Show SMILES Cc1ccc2Nc3ncccc3N=C(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1 |t:13| Show InChI InChI=1S/C27H29N5/c1-18-9-12-24-23(14-18)26(31-25-8-5-13-28-27(25)30-24)29-20-15-21-10-11-22(16-20)32(21)17-19-6-3-2-4-7-19/h2-9,12-14,20-22H,10-11,15-17H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 131 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120935
((8-Methyl-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6...)Show SMILES CN1CCC(CC1)NC1=Nc2cccnc2Nc2ccc(C)cc12 |t:9| Show InChI InChI=1S/C19H23N5/c1-13-5-6-16-15(12-13)18(21-14-7-10-24(2)11-8-14)23-17-4-3-9-20-19(17)22-16/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,20,22)(H,21,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50120938
((8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(8-chloro-...)Show SMILES Clc1ccc2Nc3ncccc3N=C(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1 |t:13| Show InChI InChI=1S/C26H26ClN5/c27-18-8-11-23-22(13-18)25(31-24-7-4-12-28-26(24)30-23)29-19-14-20-9-10-21(15-19)32(20)16-17-5-2-1-3-6-17/h1-8,11-13,19-21H,9-10,14-16H2,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D2L expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50120934
((8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(8-methyl-...)Show SMILES Cc1ccc2Nc3ncccc3N=C(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1 |t:13| Show InChI InChI=1S/C27H29N5/c1-18-9-12-24-23(14-18)26(31-25-8-5-13-28-27(25)30-24)29-20-15-21-10-11-22(16-20)32(21)17-19-6-3-2-4-7-19/h2-9,12-14,20-22H,10-11,15-17H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D2L expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50120944
(CHEMBL149493 | N,N-Dimethyl-N'-(8-methyl-11H-benzo...)Show InChI InChI=1S/C17H21N5/c1-12-6-7-14-13(11-12)16(19-9-10-22(2)3)21-15-5-4-8-18-17(15)20-14/h4-8,11H,9-10H2,1-3H3,(H,18,20)(H,19,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50291998
(8-Chloro-6-(4-methyl-[1,4]diazepan-1-yl)-11H-benzo...)Show SMILES CN1CCCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:9| Show InChI InChI=1S/C18H20ClN5/c1-23-8-3-9-24(11-10-23)18-14-12-13(19)5-6-15(14)21-17-16(22-18)4-2-7-20-17/h2,4-7,12H,3,8-11H2,1H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50291998
(8-Chloro-6-(4-methyl-[1,4]diazepan-1-yl)-11H-benzo...)Show SMILES CN1CCCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12 |t:9| Show InChI InChI=1S/C18H20ClN5/c1-23-8-3-9-24(11-10-23)18-14-12-13(19)5-6-15(14)21-17-16(22-18)4-2-7-20-17/h2,4-7,12H,3,8-11H2,1H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liège
Curated by ChEMBL
| Assay Description In vitro binding affinity at serotonin 5-hydroxytryptamine 2A receptor in rat cortical membrane |
J Med Chem 45: 5136-49 (2002)
BindingDB Entry DOI: 10.7270/Q2571BC1 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor alpha
(Homo sapiens (Human)) | BDBM50032675
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Selective activity of the compound towards retinoic acid receptor-alpha |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair | |