Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50041752 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
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
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
| 0.603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50414840
(CHEMBL576756)Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26) | PDB
MMDB
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| CHEMBL
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| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50414843
(CHEMBL566508)Show SMILES CSc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H23FN4O2S/c1-30-22-24-11-17-18(25-22)8-13(9-19(17)28)12-27-6-4-14(5-7-27)21-16-3-2-15(23)10-20(16)29-26-21/h2-3,10-11,13-14H,4-9,12H2,1H3 | PDB
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| Article
PubMed
| 4.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| DrugBank
Article
PubMed
| 6.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| DrugBank
Article
PubMed
| 6.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50414844
(CHEMBL583772)Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2n1 Show InChI InChI=1S/C22H25FN4O2/c1-24-22-25-12-18-19(26-22)10-14(11-20(18)28)13-27-8-6-16(7-9-27)21(29)15-2-4-17(23)5-3-15/h2-5,12,14,16H,6-11,13H2,1H3,(H,24,25,26) | PDB
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| Article
PubMed
| 6.46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
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
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PubMed
| 7.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
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
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| Article
PubMed
| 9.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
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
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| DrugBank
Article
PubMed
| 10.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
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
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| Article
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| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| Article
PubMed
| 16.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| DrugBank
Article
PubMed
| 21.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50414842
(CHEMBL572708)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1 Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2 | PDB
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| Article
PubMed
| 23.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50414843
(CHEMBL566508)Show SMILES CSc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H23FN4O2S/c1-30-22-24-11-17-18(25-22)8-13(9-19(17)28)12-27-6-4-14(5-7-27)21-16-3-2-15(23)10-20(16)29-26-21/h2-3,10-11,13-14H,4-9,12H2,1H3 | PDB
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| Article
PubMed
| 32.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50414843
(CHEMBL566508)Show SMILES CSc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H23FN4O2S/c1-30-22-24-11-17-18(25-22)8-13(9-19(17)28)12-27-6-4-14(5-7-27)21-16-3-2-15(23)10-20(16)29-26-21/h2-3,10-11,13-14H,4-9,12H2,1H3 | PDB
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| Article
PubMed
| 33.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50414846
(CHEMBL575788)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cnc(nc3C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H25FN4O2/c28-20-6-7-21-25(14-20)34-31-26(21)18-8-10-32(11-9-18)16-17-12-23-22(24(33)13-17)15-29-27(30-23)19-4-2-1-3-5-19/h1-7,14-15,17-18H,8-13,16H2 | PDB
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PubMed
| 33.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50414840
(CHEMBL576756)Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26) | PDB
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| Article
PubMed
| 42.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50414843
(CHEMBL566508)Show SMILES CSc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H23FN4O2S/c1-30-22-24-11-17-18(25-22)8-13(9-19(17)28)12-27-6-4-14(5-7-27)21-16-3-2-15(23)10-20(16)29-26-21/h2-3,10-11,13-14H,4-9,12H2,1H3 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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PubMed
| 44.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50414840
(CHEMBL576756)Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26) | PDB
Reactome pathway
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UniChem
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PubMed
| 49.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50414847
(CHEMBL572721)Show SMILES CSc1ncc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2n1 Show InChI InChI=1S/C22H24FN3O2S/c1-29-22-24-12-18-19(25-22)10-14(11-20(18)27)13-26-8-6-16(7-9-26)21(28)15-2-4-17(23)5-3-15/h2-5,12,14,16H,6-11,13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50414846
(CHEMBL575788)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cnc(nc3C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H25FN4O2/c28-20-6-7-21-25(14-20)34-31-26(21)18-8-10-32(11-9-18)16-17-12-23-22(24(33)13-17)15-29-27(30-23)19-4-2-1-3-5-19/h1-7,14-15,17-18H,8-13,16H2 | PDB
MMDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50414842
(CHEMBL572708)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1 Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2 | PDB
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PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| DrugBank
Article
PubMed
| 148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50414842
(CHEMBL572708)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1 Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2 | PDB
Reactome pathway
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| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
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
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| Article
PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50414840
(CHEMBL576756)Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
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
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| DrugBank
Article
PubMed
| 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50414844
(CHEMBL583772)Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2n1 Show InChI InChI=1S/C22H25FN4O2/c1-24-22-25-12-18-19(26-22)10-14(11-20(18)28)13-27-8-6-16(7-9-27)21(29)15-2-4-17(23)5-3-15/h2-5,12,14,16H,6-11,13H2,1H3,(H,24,25,26) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50414842
(CHEMBL572708)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1 Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50414841
(CHEMBL575760)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3cncnc3C2)CC1 Show InChI InChI=1S/C21H22FN3O2/c22-17-3-1-15(2-4-17)21(27)16-5-7-25(8-6-16)12-14-9-19-18(20(26)10-14)11-23-13-24-19/h1-4,11,13-14,16H,5-10,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50414842
(CHEMBL572708)Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1 Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50414845
(CHEMBL572942)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3cnc(nc3C2)-c2ccccc2)CC1 Show InChI InChI=1S/C27H26FN3O2/c28-22-8-6-19(7-9-22)26(33)20-10-12-31(13-11-20)17-18-14-24-23(25(32)15-18)16-29-27(30-24)21-4-2-1-3-5-21/h1-9,16,18,20H,10-15,17H2 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50414841
(CHEMBL575760)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3cncnc3C2)CC1 Show InChI InChI=1S/C21H22FN3O2/c22-17-3-1-15(2-4-17)21(27)16-5-7-25(8-6-16)12-14-9-19-18(20(26)10-14)11-23-13-24-19/h1-4,11,13-14,16H,5-10,12H2 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| Article
PubMed
| 912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
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
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| Article
PubMed
| 7.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50414843
(CHEMBL566508)Show SMILES CSc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H23FN4O2S/c1-30-22-24-11-17-18(25-22)8-13(9-19(17)28)12-27-6-4-14(5-7-27)21-16-3-2-15(23)10-20(16)29-26-21/h2-3,10-11,13-14H,4-9,12H2,1H3 | PDB
Reactome pathway
KEGG
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| 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 |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50414840
(CHEMBL576756)Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26) | PDB
Reactome pathway
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Santiago de Compostela
Curated by ChEMBL
| Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor |
Bioorg Med Chem Lett 19: 6059-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5 |
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Ligand-Target Pair | |
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