Found 31 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418183
(CHEMBL1761688)Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C21H26F3N3O3/c1-12(2)25-11-17-18(20(29)26-15-4-3-5-16(28)10-15)27-30-19(17)13-6-8-14(9-7-13)21(22,23)24/h6-9,12,15-16,25,28H,3-5,10-11H2,1-2H3,(H,26,29)/t15-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of labeled-dofetilide from human ERG |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50336144
((1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m1/s1 | 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 | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418959
(CHEMBL1807875)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C17H15ClF4N2O3/c18-13-14(16(26)23-9-2-1-3-10(25)7-9)24-27-15(13)8-4-5-11(12(19)6-8)17(20,21)22/h4-6,9-10,25H,1-3,7H2,(H,23,26)/t9-,10+/m1/s1 | 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 | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418961
(CHEMBL1807877)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C16H15Cl2FN2O3/c17-11-5-4-8(6-12(11)19)15-13(18)14(21-24-15)16(23)20-9-2-1-3-10(22)7-9/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1 | 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 | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418981
(CHEMBL1807878)Show SMILES Cc1c(noc1-c1ccc(c(F)c1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C18H18F4N2O3/c1-9-15(17(26)23-11-3-2-4-12(25)8-11)24-27-16(9)10-5-6-13(14(19)7-10)18(20,21)22/h5-7,11-12,25H,2-4,8H2,1H3,(H,23,26)/t11-,12+/m1/s1 | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418965
(CHEMBL1807883)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C16H15Cl2FN2O3/c17-11-5-4-8(6-12(11)19)14-13(18)15(24-21-14)16(23)20-9-2-1-3-10(22)7-9/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1 | 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 | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418964
(CHEMBL1807882)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(9-4-6-10(7-5-9)17(19,20)21)23-26-15(13)16(25)22-11-2-1-3-12(24)8-11/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m1/s1 | 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 | 3.98 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418960
(CHEMBL1807876)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H16Cl2N2O3/c17-10-6-4-9(5-7-10)15-13(18)14(20-23-15)16(22)19-11-2-1-3-12(21)8-11/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1 | 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 | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418979
(CHEMBL1807879)Show SMILES CCOc1cc(Cl)ccc1-c1onc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1C |r| Show InChI InChI=1S/C19H23ClN2O4/c1-3-25-16-9-12(20)7-8-15(16)18-11(2)17(22-26-18)19(24)21-13-5-4-6-14(23)10-13/h7-9,13-14,23H,3-6,10H2,1-2H3,(H,21,24)/t13-,14+/m1/s1 | 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 | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418963
(CHEMBL1807881)Show InChI InChI=1S/C18H21ClN2O4/c1-3-24-15-10-12(19)4-5-14(15)17-11(2)16(21-25-17)18(22)20-13-6-8-23-9-7-13/h4-5,10,13H,3,6-9H2,1-2H3,(H,20,22) | 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 | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418973
(CHEMBL1807958)Show SMILES CC(C)[C@H](C)NC(=O)c1noc(c1CO)-c1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C17H18F4N2O3/c1-8(2)9(3)22-16(25)14-11(7-24)15(26-23-14)10-4-5-12(13(18)6-10)17(19,20)21/h4-6,8-9,24H,7H2,1-3H3,(H,22,25)/t9-/m0/s1 | 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 | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418984
(CHEMBL1807959)Show SMILES OCc1c(noc1-c1ccc(c(F)c1)C(F)(F)F)C(=O)NC1CCCC1 Show InChI InChI=1S/C17H16F4N2O3/c18-13-7-9(5-6-12(13)17(19,20)21)15-11(8-24)14(23-26-15)16(25)22-10-3-1-2-4-10/h5-7,10,24H,1-4,8H2,(H,22,25) | 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 | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50336151
((1R,3S)-4-chloro-5-(4-fluorophenyl)-N-(3-hydroxycy...)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C16H16ClFN2O3/c17-13-14(16(22)19-11-2-1-3-12(21)8-11)20-23-15(13)9-4-6-10(18)7-5-9/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1 | 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 | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418183
(CHEMBL1761688)Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C21H26F3N3O3/c1-12(2)25-11-17-18(20(29)26-15-4-3-5-16(28)10-15)27-30-19(17)13-6-8-14(9-7-13)21(22,23)24/h6-9,12,15-16,25,28H,3-5,10-11H2,1-2H3,(H,26,29)/t15-,16+/m1/s1 | 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 | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418977
(CHEMBL1807964)Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](C)C(C)C |r| Show InChI InChI=1S/C20H26F3N3O2/c1-11(2)13(5)25-19(27)17-16(10-24-12(3)4)18(28-26-17)14-6-8-15(9-7-14)20(21,22)23/h6-9,11-13,24H,10H2,1-5H3,(H,25,27)/t13-/m0/s1 | 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 | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418966
(CHEMBL1807885)Show SMILES OCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C18H19F3N2O4/c19-18(20,21)11-6-4-10(5-7-11)16-14(9-24)15(23-27-16)17(26)22-12-2-1-3-13(25)8-12/h4-7,12-13,24-25H,1-3,8-9H2,(H,22,26)/t12-,13+/m1/s1 | 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 | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418983
(CHEMBL1807954)Show SMILES CC(C)[C@H](C)NC(=O)c1noc(c1CO)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C17H19F3N2O3/c1-9(2)10(3)21-16(24)14-13(8-23)15(25-22-14)11-4-6-12(7-5-11)17(18,19)20/h4-7,9-10,23H,8H2,1-3H3,(H,21,24)/t10-/m0/s1 | 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 | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418974
(CHEMBL1807960)Show SMILES CC[C@H](CO)NC(=O)c1noc(c1CO)-c1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C16H16F4N2O4/c1-2-9(6-23)21-15(25)13-10(7-24)14(26-22-13)8-3-4-11(12(17)5-8)16(18,19)20/h3-5,9,23-24H,2,6-7H2,1H3,(H,21,25)/t9-/m1/s1 | 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 | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418970
(CHEMBL1807955)Show SMILES OCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1 Show InChI InChI=1S/C17H17F3N2O3/c18-17(19,20)11-7-5-10(6-8-11)15-13(9-23)14(22-25-15)16(24)21-12-3-1-2-4-12/h5-8,12,23H,1-4,9H2,(H,21,24) | 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 | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418962
(CHEMBL1807880)Show SMILES CCOc1cc(Cl)ccc1-c1onc(C(=O)NC2CCC(O)CC2)c1C |(-1.53,-34.78,;-2.3,-33.44,;-1.53,-32.11,;-2.3,-30.77,;-3.83,-30.77,;-4.6,-29.45,;-6.14,-29.45,;-3.84,-28.12,;-2.3,-28.12,;-1.53,-29.45,;.01,-29.45,;.92,-30.7,;2.38,-30.22,;2.38,-28.68,;3.73,-27.94,;3.76,-26.4,;5.05,-28.74,;6.4,-27.99,;7.72,-28.8,;9.06,-28.07,;9.1,-26.53,;10.45,-25.79,;7.78,-25.73,;6.43,-26.46,;.92,-28.21,;.44,-26.74,)| Show InChI InChI=1S/C19H23ClN2O4/c1-3-25-16-10-12(20)4-9-15(16)18-11(2)17(22-26-18)19(24)21-13-5-7-14(23)8-6-13/h4,9-10,13-14,23H,3,5-8H2,1-2H3,(H,21,24) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418985
(CHEMBL1807965)Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1 Show InChI InChI=1S/C20H24F3N3O2/c1-12(2)24-11-16-17(19(27)25-15-5-3-4-6-15)26-28-18(16)13-7-9-14(10-8-13)20(21,22)23/h7-10,12,15,24H,3-6,11H2,1-2H3,(H,25,27) | 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 | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418978
(CHEMBL1807966)Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@H](C)C(C)C |r| Show InChI InChI=1S/C20H26F3N3O2/c1-11(2)13(5)25-19(27)17-16(10-24-12(3)4)18(28-26-17)14-6-8-15(9-7-14)20(21,22)23/h6-9,11-13,24H,10H2,1-5H3,(H,25,27)/t13-/m1/s1 | 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 | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418982
(CHEMBL1807884)Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C16H16ClFN2O3/c17-13-14(9-4-6-10(18)7-5-9)20-23-15(13)16(22)19-11-2-1-3-12(21)8-11/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1 | 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 | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418971
(CHEMBL1807956)Show SMILES CC(O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1 Show InChI InChI=1S/C18H19F3N2O3/c1-10(24)14-15(17(25)22-13-4-2-3-5-13)23-26-16(14)11-6-8-12(9-7-11)18(19,20)21/h6-10,13,24H,2-5H2,1H3,(H,22,25) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418976
(CHEMBL1807963)Show SMILES OC(=O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1 Show InChI InChI=1S/C17H15F3N2O4/c18-17(19,20)10-7-5-9(6-8-10)14-12(16(24)25)13(22-26-14)15(23)21-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,21,23)(H,24,25) | 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 | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418967
(CHEMBL1807886)Show SMILES OCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCC(O)CC1 |(24.43,3.9,;23.4,2.75,;23.88,1.29,;25.34,.81,;25.34,-.73,;23.88,-1.21,;22.97,.04,;21.43,.05,;20.66,-1.28,;19.13,-1.28,;18.36,.04,;19.12,1.37,;20.66,1.38,;16.82,.04,;16.04,1.37,;16.05,-1.3,;15.28,.05,;26.69,1.55,;26.72,3.09,;28.01,.76,;29.36,1.5,;30.68,.69,;32.02,1.43,;32.06,2.97,;33.41,3.7,;30.74,3.77,;29.39,3.03,)| Show InChI InChI=1S/C18H19F3N2O4/c19-18(20,21)11-3-1-10(2-4-11)16-14(9-24)15(23-27-16)17(26)22-12-5-7-13(25)8-6-12/h1-4,12-13,24-25H,5-9H2,(H,22,26) | 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 | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418968
(CHEMBL1807887)Show SMILES CC[C@H](CO)NC(=O)c1noc(c1CO)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C16H17F3N2O4/c1-2-11(7-22)20-15(24)13-12(8-23)14(25-21-13)9-3-5-10(6-4-9)16(17,18)19/h3-6,11,22-23H,2,7-8H2,1H3,(H,20,24)/t11-/m1/s1 | 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 | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418980
(CHEMBL1807962)Show SMILES CN(C)C(=O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1 Show InChI InChI=1S/C19H20F3N3O3/c1-25(2)18(27)14-15(17(26)23-13-5-3-4-6-13)24-28-16(14)11-7-9-12(10-8-11)19(20,21)22/h7-10,13H,3-6H2,1-2H3,(H,23,26) | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418969
(CHEMBL1807953)Show SMILES OCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCOCC1 Show InChI InChI=1S/C17H17F3N2O4/c18-17(19,20)11-3-1-10(2-4-11)15-13(9-23)14(22-26-15)16(24)21-12-5-7-25-8-6-12/h1-4,12,23H,5-9H2,(H,21,24) | 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 | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418972
(CHEMBL1807957)Show SMILES CC(C)(O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1 Show InChI InChI=1S/C19H21F3N2O3/c1-18(2,26)14-15(17(25)23-13-5-3-4-6-13)24-27-16(14)11-7-9-12(10-8-11)19(20,21)22/h7-10,13,26H,3-6H2,1-2H3,(H,23,25) | 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 | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50418975
(CHEMBL1807961)Show SMILES CCNC(=O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1 Show InChI InChI=1S/C19H20F3N3O3/c1-2-23-17(26)14-15(18(27)24-13-5-3-4-6-13)25-28-16(14)11-7-9-12(10-8-11)19(20,21)22/h7-10,13H,2-6H2,1H3,(H,23,26)(H,24,27) | 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 | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 21: 4652-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M |
More data for this
Ligand-Target Pair | |
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