Found 35 hits of ki for monomerid = 50095027 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)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells |
J Med Chem 45: 492-503 (2002)
BindingDB Entry DOI: 10.7270/Q2KH0P27 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Mol Psychiatry 3: 123-34 (1998)
Article DOI: 10.1038/sj.mp.4000336 BindingDB Entry DOI: 10.7270/Q2G15ZCQ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Ability of the compound to displace [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor was determined |
Bioorg Med Chem Lett 10: 2693-6 (2000)
BindingDB Entry DOI: 10.7270/Q2C24VPJ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
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| Article PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells |
Bioorg Med Chem Lett 20: 3708-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells |
J Med Chem 45: 492-503 (2002)
BindingDB Entry DOI: 10.7270/Q2KH0P27 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
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| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor in humans |
J Med Chem 45: 2319-24 (2002)
BindingDB Entry DOI: 10.7270/Q2B27TM2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz
Curated by ChEMBL
| Assay Description Displacement of [3H]MDL100907 from rat cortical membrane 5HT2A receptor |
Bioorg Med Chem 17: 2989-3002 (2009)
Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| Article PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz
Curated by ChEMBL
| Assay Description Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser |
Bioorg Med Chem 17: 2989-3002 (2009)
Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
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| Article PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mainz
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 18: 1515-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.054 BindingDB Entry DOI: 10.7270/Q23F4QHZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity towards rat 5-hydroxytryptamine 2A receptor |
J Med Chem 44: 477-501 (2001)
BindingDB Entry DOI: 10.7270/Q24Q7VQH |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 44: 477-501 (2001)
BindingDB Entry DOI: 10.7270/Q24Q7VQH |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mainz
Curated by ChEMBL
| Assay Description Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells |
Bioorg Med Chem Lett 18: 1515-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.054 BindingDB Entry DOI: 10.7270/Q23F4QHZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells |
Bioorg Med Chem Lett 20: 3708-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity for displacement of [3H]mesulergine to human 5-hydroxytryptamine 2C receptor stably expressed in CHO cells |
J Med Chem 45: 492-503 (2002)
BindingDB Entry DOI: 10.7270/Q2KH0P27 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 968-81 (1996)
BindingDB Entry DOI: 10.7270/Q2FN14R3 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 968-81 (1996)
BindingDB Entry DOI: 10.7270/Q2FN14R3 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| Article PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz
Curated by ChEMBL
| Assay Description Binding affinity to 5HT2C receptor (unknown origin) by competitive binding experiment |
Bioorg Med Chem 17: 2989-3002 (2009)
Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 968-81 (1996)
BindingDB Entry DOI: 10.7270/Q2FN14R3 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
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| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 968-81 (1996)
BindingDB Entry DOI: 10.7270/Q2FN14R3 |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay |
J Med Chem 53: 7778-95 (2010)
Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 1
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
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| 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity at Voltage-gated potassium channel |
J Med Chem 44: 477-501 (2001)
BindingDB Entry DOI: 10.7270/Q24Q7VQH |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells |
Bioorg Med Chem Lett 20: 3708-12 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity against human IKr channel |
Bioorg Med Chem Lett 15: 3665-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG channel |
J Med Chem 52: 4266-76 (2009)
Article DOI: 10.1021/jm900002x BindingDB Entry DOI: 10.7270/Q2MK6DT2 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Displacement of [3H]-dofetilide to HEK cells stably expressing hERG voltage-gated IKr potassium channel Kv11.1 |
J Med Chem 45: 492-503 (2002)
BindingDB Entry DOI: 10.7270/Q2KH0P27 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme
Curated by ChEMBL
| Assay Description Binding affinity for displacement of [3H]spiperone to human dopamine D2 (hD2) receptors stably expressed in CHO cells |
J Med Chem 45: 492-503 (2002)
BindingDB Entry DOI: 10.7270/Q2KH0P27 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-spiperone from CHO cells expressing human Dopamine receptor D2 was determined |
Bioorg Med Chem Lett 10: 2693-6 (2000)
BindingDB Entry DOI: 10.7270/Q2C24VPJ |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D2 receptor (unknown origin) by competitive binding experiment |
Bioorg Med Chem 17: 2989-3002 (2009)
Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
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| 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 968-81 (1996)
BindingDB Entry DOI: 10.7270/Q2FN14R3 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway
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| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 268: 1403-10 (1994)
BindingDB Entry DOI: 10.7270/Q2154FJQ |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
KEGG
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| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 968-81 (1996)
BindingDB Entry DOI: 10.7270/Q2FN14R3 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | KEGG
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| 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 968-81 (1996)
BindingDB Entry DOI: 10.7270/Q2FN14R3 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Mol Psychiatry 3: 123-34 (1998)
Article DOI: 10.1038/sj.mp.4000336 BindingDB Entry DOI: 10.7270/Q2G15ZCQ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
UniProtKB/SwissProt
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz
Curated by ChEMBL
| Assay Description Binding affinity to 5-HT1A receptor (unknown origin) by competitive binding experiment |
Bioorg Med Chem 17: 2989-3002 (2009)
Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2 |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50095027
((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...)Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 277: 968-81 (1996)
BindingDB Entry DOI: 10.7270/Q2FN14R3 |
More data for this Ligand-Target Pair | |