Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50005559   

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 (Rattus norvegicus (rat))	BDBM50492805 (CHEMBL2414497) Show SMILES CCCCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C18H25N3O3S/c1-3-4-5-6-7-8-9-16(23)19-18-21-20-17(25-18)13-10-11-14(22)15(12-13)24-2/h10-12,22H,3-9H2,1-2H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of temperature-induced calcium flux after 30 mins by Fluo...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492809 (CHEMBL2414498) Show SMILES CCCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C17H23N3O3S/c1-3-4-5-6-7-8-15(22)18-17-20-19-16(24-17)12-9-10-13(21)14(11-12)23-2/h9-11,21H,3-8H2,1-2H3,(H,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492808 (CHEMBL2414501) Show SMILES CCCCCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1 Show InChI InChI=1S/C18H24IN3O3S/c1-3-4-5-6-7-8-9-15(23)20-18-22-21-17(26-18)12-10-13(19)16(24)14(11-12)25-2/h10-11,24H,3-9H2,1-2H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of temperature-induced calcium flux after 30 mins by Fluo...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492805 (CHEMBL2414497) Show SMILES CCCCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C18H25N3O3S/c1-3-4-5-6-7-8-9-16(23)19-18-21-20-17(25-18)13-10-11-14(22)15(12-13)24-2/h10-12,22H,3-9H2,1-2H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492806 (CHEMBL2414504) Show SMILES CCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1 Show InChI InChI=1S/C15H18IN3O3S/c1-3-4-5-6-12(20)17-15-19-18-14(23-15)9-7-10(16)13(21)11(8-9)22-2/h7-8,21H,3-6H2,1-2H3,(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of temperature-induced calcium flux after 30 mins by Fluo...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492807 (CHEMBL2414502) Show SMILES CCCCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1 Show InChI InChI=1S/C17H22IN3O3S/c1-3-4-5-6-7-8-14(22)19-17-21-20-16(25-17)11-9-12(18)15(23)13(10-11)24-2/h9-10,23H,3-8H2,1-2H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492808 (CHEMBL2414501) Show SMILES CCCCCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1 Show InChI InChI=1S/C18H24IN3O3S/c1-3-4-5-6-7-8-9-15(23)20-18-22-21-17(26-18)12-10-13(19)16(24)14(11-12)25-2/h10-11,24H,3-9H2,1-2H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492804 (CHEMBL2414499) Show SMILES CCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C16H21N3O3S/c1-3-4-5-6-7-14(21)17-16-19-18-15(23-16)11-8-9-12(20)13(10-11)22-2/h8-10,20H,3-7H2,1-2H3,(H,17,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492807 (CHEMBL2414502) Show SMILES CCCCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1 Show InChI InChI=1S/C17H22IN3O3S/c1-3-4-5-6-7-8-14(22)19-17-21-20-16(25-17)11-9-12(18)15(23)13(10-11)24-2/h9-10,23H,3-8H2,1-2H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of temperature-induced calcium flux after 30 mins by Fluo...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492804 (CHEMBL2414499) Show SMILES CCCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C16H21N3O3S/c1-3-4-5-6-7-14(21)17-16-19-18-15(23-16)11-8-9-12(20)13(10-11)22-2/h8-10,20H,3-7H2,1-2H3,(H,17,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of temperature-induced calcium flux after 30 mins by Fluo...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492806 (CHEMBL2414504) Show SMILES CCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1 Show InChI InChI=1S/C15H18IN3O3S/c1-3-4-5-6-12(20)17-15-19-18-14(23-15)9-7-10(16)13(21)11(8-9)22-2/h7-8,21H,3-6H2,1-2H3,(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50133817 (4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of temperature-induced calcium flux after 30 mins by Fluo...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492803 (CHEMBL2414500) Show SMILES CCCCCC(=O)Nc1nnc(s1)-c1ccc(O)c(OC)c1 Show InChI InChI=1S/C15H19N3O3S/c1-3-4-5-6-13(20)16-15-18-17-14(22-15)10-7-8-11(19)12(9-10)21-2/h7-9,19H,3-6H2,1-2H3,(H,16,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50133817 (4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50492810 (CHEMBL2414503) Show SMILES CCCCCCC(=O)Nc1nnc(s1)-c1cc(I)c(O)c(OC)c1 Show InChI InChI=1S/C16H20IN3O3S/c1-3-4-5-6-7-13(21)18-16-20-19-15(24-16)10-8-11(17)14(22)12(9-10)23-2/h8-9,22H,3-7H2,1-2H3,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Concepcion Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4...				Eur J Med Chem 66: 193-203 (2013) Article DOI: 10.1016/j.ejmech.2013.05.001 BindingDB Entry DOI: 10.7270/Q21839FC
					More data for this Ligand-Target Pair