Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50003894 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
(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 | PDB
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| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(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
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| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50477152
(CHEMBL393466)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.643 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(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 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50477152
(CHEMBL393466)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2 | PDB
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| PC cid
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| Article
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| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50133931
(1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50133931
(1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
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
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(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
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| Article
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50477151
(CHEMBL393622)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2 | PDB
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| PC cid
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| Article
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| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50477151
(CHEMBL393622)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2 | PDB
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| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50133931
(1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2 | PDB
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| 425 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50477152
(CHEMBL393466)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2 | PDB
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| PC cid
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| 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50477150
(CHEMBL240733)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCNCC3CC2c2ccccc12 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-12-28-22-5-2-1-4-20(22)21-14-19-15-26-11-13-27(19)16-23(21)28/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2 | PDB
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| <1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50477150
(CHEMBL240733)Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCNCC3CC2c2ccccc12 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-12-28-22-5-2-1-4-20(22)21-14-19-15-26-11-13-27(19)16-23(21)28/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2 | PDB
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| <1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat brain |
Bioorg Med Chem 15: 7361-7 (2007)
Article DOI: 10.1016/j.bmc.2007.07.018
BindingDB Entry DOI: 10.7270/Q251420V |
More data for this
Ligand-Target Pair | |
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