Found 233 hits with Last Name = 'matson' and Initial = 'd' 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 |
|---|
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50349984
(CHEMBL1813048)Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33) | PDB
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PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay |
J Med Chem 54: 4427-45 (2011)
Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50349984
(CHEMBL1813048)Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33) | PDB
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PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-(3-(4-(4-(Benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)-phenyl)acetamide from human Nav1.7 expressed in human HEK293 cells... |
J Med Chem 54: 4427-45 (2011)
Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50017659
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3 | PDB
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| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]BTX from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer |
J Med Chem 54: 4427-45 (2011)
Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50349984
(CHEMBL1813048)Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(OC(F)(F)F)cc2)c1C Show InChI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]BTX from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer |
J Med Chem 54: 4427-45 (2011)
Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50017659
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3 | PDB
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| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-(3-(4-(4-(Benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)-phenyl)acetamide from human Nav1.7 expressed in human HEK293 cells... |
J Med Chem 54: 4427-45 (2011)
Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50117271
(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)Show InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3 | PDB
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| Article
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| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay |
J Med Chem 54: 4427-45 (2011)
Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50362558
(CHEMBL1425238)Show InChI InChI=1S/C11H19N3OS/c1-2-3-4-5-6-7-16-11-13-9(12)8-10(15)14-11/h8H,2-7H2,1H3,(H3,12,13,14,15) | PDB
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| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of dofetilide from human ERG |
Bioorg Med Chem Lett 22: 1055-60 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50362567
(CHEMBL1313991)Show InChI InChI=1S/C15H19N3OS/c1-15(2,3)11-6-4-10(5-7-11)9-20-14-17-12(16)8-13(19)18-14/h4-8H,9H2,1-3H3,(H3,16,17,18,19) | PDB
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| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of dofetilide from human ERG |
Bioorg Med Chem Lett 22: 1055-60 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50362580
(CHEMBL1938867)Show InChI InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3 | PDB
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| >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of dofetilide from human ERG |
Bioorg Med Chem Lett 22: 1055-60 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.111
BindingDB Entry DOI: 10.7270/Q2CV4J7X |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315610
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-16-15-17(29-9-28-16)31-13(8-27-15)14-12(19(23,24)25)2-1-7-26-14/h1-9H,(H,28,29,30,31) | PDB
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| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315616
(3-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-14-7-9-28-18-17(14)29-10-15(31-18)16-13(20(24,25)26)2-1-8-27-16/h1-10H,(H,28,30,31) | PDB
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| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272889
(2-(isopropoxymethyl)-N-(4-(trifluoromethyl)phenyl)...)Show SMILES CC(C)OCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C25H20F6N4O/c1-14(2)36-13-21-34-20-12-15(22-19(25(29,30)31)4-3-11-32-22)5-10-18(20)23(35-21)33-17-8-6-16(7-9-17)24(26,27)28/h3-12,14H,13H2,1-2H3,(H,33,34,35) | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272976
(2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoro...)Show SMILES CC1CN(Cc2nc(Nc3ccc(cc3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)CC(C)O1 Show InChI InChI=1S/C28H25F6N5O/c1-16-13-39(14-17(2)40-16)15-24-37-23-12-18(25-22(28(32,33)34)4-3-11-35-25)5-10-21(23)26(38-24)36-20-8-6-19(7-9-20)27(29,30)31/h3-12,16-17H,13-15H2,1-2H3,(H,36,37,38) | PDB
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PC sid
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| Article
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272890
(2-(benzyloxymethyl)-N-(4-(trifluoromethyl)phenyl)-...)Show SMILES FC(F)(F)c1ccc(Nc2nc(COCc3ccccc3)nc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C29H20F6N4O/c30-28(31,32)20-9-11-21(12-10-20)37-27-22-13-8-19(26-23(29(33,34)35)7-4-14-36-26)15-24(22)38-25(39-27)17-40-16-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,37,38,39) | PDB
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| Article
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272848
(2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifl...)Show SMILES Cc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H14F6N4/c1-12-30-18-11-13(19-17(22(26,27)28)3-2-10-29-19)4-9-16(18)20(31-12)32-15-7-5-14(6-8-15)21(23,24)25/h2-11H,1H3,(H,30,31,32) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50272850
(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV1 receptor assessed as inhibition of low pH-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315608
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-3-5-13(6-4-12)31-18-17-15(29-10-30-18)8-11(9-28-17)16-14(20(24,25)26)2-1-7-27-16/h1-10H,(H,29,30,31) | PDB
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| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50191726
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315609
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-17-13-7-8-15(31-18(13)29-10-28-17)16-14(20(24,25)26)2-1-9-27-16/h1-10H,(H,28,29,30,31) | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273167
((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-4-6-16(28-9-12)31-18-13-5-3-11(8-15(13)29-10-30-18)17-14(20(24,25)26)2-1-7-27-17/h1-10H,(H,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272851
(2-(ethoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(...)Show SMILES CCOCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C24H18F6N4O/c1-2-35-13-20-33-19-12-14(21-18(24(28,29)30)4-3-11-31-21)5-10-17(19)22(34-20)32-16-8-6-15(7-9-16)23(25,26)27/h3-12H,2,13H2,1H3,(H,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM20557
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human TRPV1 |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273213
(2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(t...)Show SMILES C[C@H]1CN(Cc2nc(Nc3ccc(cn3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)C[C@@H](C)O1 |r| Show InChI InChI=1S/C27H24F6N6O/c1-15-12-39(13-16(2)40-15)14-23-36-21-10-17(24-20(27(31,32)33)4-3-9-34-24)5-7-19(21)25(38-23)37-22-8-6-18(11-35-22)26(28,29)30/h3-11,15-16H,12-14H2,1-2H3,(H,35,36,37,38)/t15-,16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273251
(2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin...)Show SMILES CC(C)OCc1nc(Nc2ccc(nc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C24H19F6N5O/c1-13(2)36-12-20-34-18-10-14(21-17(23(25,26)27)4-3-9-31-21)5-7-16(18)22(35-20)33-15-6-8-19(32-11-15)24(28,29)30/h3-11,13H,12H2,1-2H3,(H,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50191726
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human TRPV1 |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50191726
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273085
(2-((diethylamino)methyl)-N-(4-(trifluoromethyl)phe...)Show SMILES CCN(CC)Cc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C26H23F6N5/c1-3-37(4-2)15-22-35-21-14-16(23-20(26(30,31)32)6-5-13-33-23)7-12-19(21)24(36-22)34-18-10-8-17(9-11-18)25(27,28)29/h5-14H,3-4,15H2,1-2H3,(H,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272850
(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human TRPV1 |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272850
(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315612
(7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-18(30-11-13)31-16-7-9-28-17-10-12(3-5-14(16)17)19-15(21(25,26)27)2-1-8-29-19/h1-11H,(H,28,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.65 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272974
(2-(2-methoxyethyl)-N-(4-(trifluoromethyl)phenyl)-7...)Show SMILES COCCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C24H18F6N4O/c1-35-12-10-20-33-19-13-14(21-18(24(28,29)30)3-2-11-31-21)4-9-17(19)22(34-20)32-16-7-5-15(6-8-16)23(25,26)27/h2-9,11,13H,10,12H2,1H3,(H,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273166
(2-(3-((2S,6R)-2,6-dimethylmorpholino)propyl)-N-(4-...)Show SMILES C[C@H]1CN(CCCc2nc(Nc3ccc(cc3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)C[C@@H](C)O1 |r| Show InChI InChI=1S/C30H29F6N5O/c1-18-16-41(17-19(2)42-18)14-4-6-26-39-25-15-20(27-24(30(34,35)36)5-3-13-37-27)7-12-23(25)28(40-26)38-22-10-8-21(9-11-22)29(31,32)33/h3,5,7-13,15,18-19H,4,6,14,16-17H2,1-2H3,(H,38,39,40)/t18-,19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273285
(2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(t...)Show SMILES C[C@H]1CN(Cc2nc(Nc3ccc(nc3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)C[C@@H](C)O1 |r| Show InChI InChI=1S/C27H24F6N6O/c1-15-12-39(13-16(2)40-15)14-23-37-21-10-17(24-20(26(28,29)30)4-3-9-34-24)5-7-19(21)25(38-23)36-18-6-8-22(35-11-18)27(31,32)33/h3-11,15-16H,12-14H2,1-2H3,(H,36,37,38)/t15-,16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273087
(2-(morpholinomethyl)-N-(4-(trifluoromethyl)phenyl)...)Show SMILES FC(F)(F)c1ccc(Nc2nc(CN3CCOCC3)nc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C26H21F6N5O/c27-25(28,29)17-4-6-18(7-5-17)34-24-19-8-3-16(23-20(26(30,31)32)2-1-9-33-23)14-21(19)35-22(36-24)15-37-10-12-38-13-11-37/h1-9,14H,10-13,15H2,(H,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315615
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273167
((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-4-6-16(28-9-12)31-18-13-5-3-11(8-15(13)29-10-30-18)17-14(20(24,25)26)2-1-7-27-17/h1-10H,(H,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273165
(2-(3-morpholinopropyl)-N-(4-(trifluoromethyl)pheny...)Show SMILES FC(F)(F)c1ccc(Nc2nc(CCCN3CCOCC3)nc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C28H25F6N5O/c29-27(30,31)19-6-8-20(9-7-19)36-26-21-10-5-18(25-22(28(32,33)34)3-1-11-35-25)17-23(21)37-24(38-26)4-2-12-39-13-15-40-16-14-39/h1,3,5-11,17H,2,4,12-16H2,(H,36,37,38) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50315615
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31) | PDB
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| n/a | n/a | 3.25 | n/a | n/a | n/a | n/a | 5.0 | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of rat TRPV1 at pH 5 to 5.5 |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50232114
((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...)Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12 Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human TRPV1 |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272849
((4-(4-(trifluoromethyl)phenylamino)-7-(3-(trifluor...)Show SMILES OCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H14F6N4O/c23-21(24,25)13-4-6-14(7-5-13)30-20-15-8-3-12(10-17(15)31-18(11-33)32-20)19-16(22(26,27)28)2-1-9-29-19/h1-10,33H,11H2,(H,30,31,32) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273250
(2-(ethoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-y...)Show SMILES CCOCc1nc(Nc2ccc(nc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H17F6N5O/c1-2-35-12-19-33-17-10-13(20-16(22(24,25)26)4-3-9-30-20)5-7-15(17)21(34-19)32-14-6-8-18(31-11-14)23(27,28)29/h3-11H,2,12H2,1H3,(H,32,33,34) | PDB
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| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273053
(2-((cyclohexylamino)methyl)-N-(4-(trifluoromethyl)...)Show SMILES FC(F)(F)c1ccc(Nc2nc(CNC3CCCCC3)nc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C28H25F6N5/c29-27(30,31)18-9-11-20(12-10-18)37-26-21-13-8-17(25-22(28(32,33)34)7-4-14-35-25)15-23(21)38-24(39-26)16-36-19-5-2-1-3-6-19/h4,7-15,19,36H,1-3,5-6,16H2,(H,37,38,39) | PDB
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PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315614
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)12-3-5-13(6-4-12)30-16-9-11-29-19-14(16)7-8-17(31-19)18-15(21(25,26)27)2-1-10-28-18/h1-11H,(H,29,30,31) | PDB
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| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273214
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cn1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)14-2-1-7-27-17(14)11-3-5-13-15(8-11)29-10-30-18(13)31-12-4-6-16(28-9-12)20(24,25)26/h1-10H,(H,29,30,31) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273214
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cn1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)14-2-1-7-27-17(14)11-3-5-13-15(8-11)29-10-30-18(13)31-12-4-6-16(28-9-12)20(24,25)26/h1-10H,(H,29,30,31) | PDB
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| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273052
(2-((tert-butylamino)methyl)-N-(4-(trifluoromethyl)...)Show SMILES CC(C)(C)NCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C26H23F6N5/c1-24(2,3)34-14-21-36-20-13-15(22-19(26(30,31)32)5-4-12-33-22)6-11-18(20)23(37-21)35-17-9-7-16(8-10-17)25(27,28)29/h4-13,34H,14H2,1-3H3,(H,35,36,37) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273088
(2-((4-cyclopentylpiperazin-1-yl)methyl)-N-(4-(trif...)Show SMILES FC(F)(F)c1ccc(Nc2nc(CN3CCN(CC3)C3CCCC3)nc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C31H30F6N6/c32-30(33,34)21-8-10-22(11-9-21)39-29-24-12-7-20(28-25(31(35,36)37)6-3-13-38-28)18-26(24)40-27(41-29)19-42-14-16-43(17-15-42)23-4-1-2-5-23/h3,6-13,18,23H,1-2,4-5,14-17,19H2,(H,39,40,41) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273212
(2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin...)Show SMILES FC(F)(F)c1ccc(Nc2nc(CN3CCOCC3)nc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C25H20F6N6O/c26-24(27,28)16-4-6-20(33-13-16)35-23-17-5-3-15(22-18(25(29,30)31)2-1-7-32-22)12-19(17)34-21(36-23)14-37-8-10-38-11-9-37/h1-7,12-13H,8-11,14H2,(H,33,34,35,36) | PDB
MMDB
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PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273168
(2-(methoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-...)Show SMILES COCc1nc(Nc2ccc(cn2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H15F6N5O/c1-34-11-18-31-16-9-12(19-15(22(26,27)28)3-2-8-29-19)4-6-14(16)20(33-18)32-17-7-5-13(10-30-17)21(23,24)25/h2-10H,11H2,1H3,(H,30,31,32,33) | PDB
MMDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation |
Bioorg Med Chem Lett 18: 4573-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50184737
(CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...)Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human TRPV1 |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
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