Found 16 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50017721
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Antagonist activity at 5HT2A receptor |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB MMDB
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| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Antagonist activity at 5HT2A receptor |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Antagonist activity at histamine H1 receptor |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from 5HT2B receptor after 1.5 hrs by scintillation counter |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| 417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from 5HT2C receptor after 1.5 hrs by scintillation counter |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor after 1.5 hrs by scintillation counter |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
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| 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]Ketanserin from 5HT2A receptor after 1.5 hrs by scintillation counter |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from 5HT5A receptor after 1.5 hrs by scintillation counter |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| 6.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from 5HT6 receptor after 1.5 hrs by scintillation counter |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| Article PubMed
| 7.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from 5HT7 receptor after 1.5 hrs by scintillation counter |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Inhibition of VEGFR3 |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Inhibition of c-Kit |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
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| DrugBank Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Inhibition of FLT1 |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Inhibition of PDGFRbeta |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Inhibition of RAF |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Biological Sciences
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 |
J Med Chem 55: 5749-59 (2012)
Article DOI: 10.1021/jm300338m BindingDB Entry DOI: 10.7270/Q2FQ9XQW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |