Found 28 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 |
|---|
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323836
(3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-3-4-14(28-8-10)30-12-5-7-27-17-16(12)29-9-13(31-17)15-11(19(23,24)25)2-1-6-26-15/h1-9H,(H,27,28,30,31) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323839
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33) | 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 | 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 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50323839
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
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 TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50323839
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323824
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1cnc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-8-28-17(29-9-10)31-13-5-7-27-16-11(13)3-4-14(30-16)15-12(19(23,24)25)2-1-6-26-15/h1-9H,(H,27,28,29,30,31) | 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 | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50323824
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1cnc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-8-28-17(29-9-10)31-13-5-7-27-16-11(13)3-4-14(30-16)15-12(19(23,24)25)2-1-6-26-15/h1-9H,(H,27,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323823
(CHEMBL1214146 | N-(5-(trifluoromethyl)pyrazin-2-yl...)Show SMILES FC(F)(F)c1cnc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)cn1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)11-2-1-6-26-16(11)13-4-3-10-12(5-7-27-17(10)31-13)30-15-9-28-14(8-29-15)19(23,24)25/h1-9H,(H,27,29,30,31) | 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 | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50323823
(CHEMBL1214146 | N-(5-(trifluoromethyl)pyrazin-2-yl...)Show SMILES FC(F)(F)c1cnc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)cn1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)11-2-1-6-26-16(11)13-4-3-10-12(5-7-27-17(10)31-13)30-15-9-28-14(8-29-15)19(23,24)25/h1-9H,(H,27,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50323831
(7-(4-(trifluoromethyl)pyridazin-3-yl)-N-(5-(triflu...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2nnccc2C(F)(F)F)nc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-1-4-15(27-9-10)29-13-6-7-26-17-11(13)2-3-14(30-17)16-12(19(23,24)25)5-8-28-31-16/h1-9H,(H,26,27,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323831
(7-(4-(trifluoromethyl)pyridazin-3-yl)-N-(5-(triflu...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2nnccc2C(F)(F)F)nc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-1-4-15(27-9-10)29-13-6-7-26-17-11(13)2-3-14(30-17)16-12(19(23,24)25)5-8-28-31-16/h1-9H,(H,26,27,29,30) | 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 | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323835
(CHEMBL1214341 | N-(5-(trifluoromethyl)pyridin-2-yl...)Show SMILES FC(F)(F)c1scnc1-c1ccc2c(Nc3ccc(cn3)C(F)(F)F)ccnc2n1 Show InChI InChI=1S/C18H9F6N5S/c19-17(20,21)9-1-4-13(26-7-9)28-11-5-6-25-16-10(11)2-3-12(29-16)14-15(18(22,23)24)30-8-27-14/h1-8H,(H,25,26,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 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 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323833
(3-(trifluoromethyl)-2-(5-(5-(trifluoromethyl)pyrid...)Show SMILES NC(=O)c1ccnc(-c2ccc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c1C(F)(F)F Show InChI InChI=1S/C21H12F6N6O/c22-20(23,24)10-1-4-15(31-9-10)32-13-6-8-30-19-11(13)2-3-14(33-19)17-16(21(25,26)27)12(18(28)34)5-7-29-17/h1-9H,(H2,28,34)(H,30,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323838
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncc(cc2C(F)(F)F)C#N)nc1 Show InChI InChI=1S/C20H9F6N7/c21-19(22,23)11-1-2-15(29-8-11)32-13-3-4-28-18-17(13)31-9-14(33-18)16-12(20(24,25)26)5-10(6-27)7-30-16/h1-5,7-9H,(H,28,29,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323826
(5-(trifluoromethyl)-2-(7-(3-(trifluoromethyl)pyrid...)Show SMILES FC(F)(F)c1cccnc1-c1ccc2c(Nc3ncc(c(n3)C#N)C(F)(F)F)ccnc2n1 Show InChI InChI=1S/C20H9F6N7/c21-19(22,23)11-2-1-6-28-16(11)14-4-3-10-13(5-7-29-17(10)31-14)32-18-30-9-12(20(24,25)26)15(8-27)33-18/h1-7,9H,(H,29,30,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323840
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)Show SMILES OC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H10F6N6O2/c21-19(22,23)10-1-2-14(28-7-10)31-12-3-4-27-17-16(12)30-8-13(32-17)15-11(20(24,25)26)5-9(6-29-15)18(33)34/h1-8H,(H,33,34)(H,27,28,31,32) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323837
(3-(5-bromo-3-(trifluoromethyl)pyridin-2-yl)-N-(5-(...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncc(Br)cc2C(F)(F)F)nc1 Show InChI InChI=1S/C19H9BrF6N6/c20-10-5-11(19(24,25)26)15(29-7-10)13-8-30-16-12(3-4-27-17(16)32-13)31-14-2-1-9(6-28-14)18(21,22)23/h1-8H,(H,27,28,31,32) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323829
(4-(trifluoromethyl)-N-(7-(3-(trifluoromethyl)pyrid...)Show SMILES FC(F)(F)c1csc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)n1 Show InChI InChI=1S/C18H9F6N5S/c19-17(20,21)10-2-1-6-25-14(10)12-4-3-9-11(5-7-26-15(9)27-12)28-16-29-13(8-30-16)18(22,23)24/h1-8H,(H,26,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323827
(5-(trifluoromethyl)-2-(7-(3-(trifluoromethyl)pyrid...)Show SMILES NC(=O)c1nc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)ncc1C(F)(F)F Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-2-1-6-28-14(10)13-4-3-9-12(5-7-29-17(9)31-13)32-18-30-8-11(20(24,25)26)15(33-18)16(27)34/h1-8H,(H2,27,34)(H,29,30,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323825
(CHEMBL1214206 | N-(4-chloro-5-(trifluoromethyl)pyr...)Show SMILES FC(F)(F)c1cnc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1Cl Show InChI InChI=1S/C19H9ClF6N6/c20-15-11(19(24,25)26)8-29-17(32-15)31-12-5-7-28-16-9(12)3-4-13(30-16)14-10(18(21,22)23)2-1-6-27-14/h1-8H,(H,28,29,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323832
(CHEMBL1214267 | N-(5-(trifluoromethyl)pyridin-2-yl...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncncc2C(F)(F)F)nc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-1-4-15(28-7-10)30-13-5-6-27-17-11(13)2-3-14(31-17)16-12(19(23,24)25)8-26-9-29-16/h1-9H,(H,27,28,30,31) | 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 | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323830
(CHEMBL1214265 | N-(5-(trifluoromethyl)pyridin-2-yl...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ccncc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-1-4-17(29-9-11)30-16-6-8-28-18-13(16)2-3-15(31-18)12-5-7-27-10-14(12)20(24,25)26/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
Similars
| Article
PubMed
| n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323834
(3-(trifluoromethyl)-2-(5-(5-(trifluoromethyl)pyrid...)Show SMILES OC(=O)c1ccnc(-c2ccc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c1C(F)(F)F Show InChI InChI=1S/C21H11F6N5O2/c22-20(23,24)10-1-4-15(30-9-10)31-13-6-8-29-18-11(13)2-3-14(32-18)17-16(21(25,26)27)12(19(33)34)5-7-28-17/h1-9H,(H,33,34)(H,29,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 607 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323828
(5-(trifluoromethyl)-2-(7-(3-(trifluoromethyl)pyrid...)Show SMILES OC(=O)c1nc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)ncc1C(F)(F)F Show InChI InChI=1S/C20H10F6N6O2/c21-19(22,23)10-2-1-6-27-14(10)13-4-3-9-12(5-7-28-16(9)30-13)31-18-29-8-11(20(24,25)26)15(32-18)17(33)34/h1-8H,(H,33,34)(H,28,29,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.45E+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 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50323839
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MAOA |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50323839
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33) | 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 | 2.50E+3 | 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 ... |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50323839
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human hERG |
Bioorg Med Chem Lett 20: 4359-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM |
More data for this
Ligand-Target Pair | |
Search and Browse
