Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50047132   

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))	BDBM50150646 (CHEMBL3770091) Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C30H26F6N4O5S2/c1-18(20-5-13-26(25(33)15-20)39-46(2,42)43)29(41)37-16-21-6-14-27(30(34,35)36)38-28(21)40(17-19-3-7-22(31)8-4-19)47(44,45)24-11-9-23(32)10-12-24/h3-15,18,39H,16-17H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem 24: 1231-40 (2016) Article DOI: 10.1016/j.bmc.2016.01.051 BindingDB Entry DOI: 10.7270/Q25D8TP7
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50150643 (CHEMBL3769847) Show SMILES CC(C)N(c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28F4N4O5S2/c1-16(2)34(41(38,39)20-8-6-5-7-9-20)24-19(11-13-23(32-24)26(28,29)30)15-31-25(35)17(3)18-10-12-22(21(27)14-18)33-40(4,36)37/h5-14,16-17,33H,15H2,1-4H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem 24: 1231-40 (2016) Article DOI: 10.1016/j.bmc.2016.01.051 BindingDB Entry DOI: 10.7270/Q25D8TP7
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50150641 (CHEMBL3770156) Show SMILES CC(C(=O)NCc1ccc(nc1N(C)S(=O)(=O)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C24H24F4N4O5S2/c1-15(16-9-11-20(19(25)13-16)31-38(3,34)35)23(33)29-14-17-10-12-21(24(26,27)28)30-22(17)32(2)39(36,37)18-7-5-4-6-8-18/h4-13,15,31H,14H2,1-3H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	698	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem 24: 1231-40 (2016) Article DOI: 10.1016/j.bmc.2016.01.051 BindingDB Entry DOI: 10.7270/Q25D8TP7
					More data for this Ligand-Target Pair