Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50331131'   

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))	BDBM50331131 (2-methyl-2-(4-(2-(piperidin-1-yl)-7-(3-(trifluorom...) Show SMILES CC(C)(C#N)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1 Show InChI InChI=1S/C29H32F3N7/c1-28(2,19-33)20-8-10-21(11-9-20)35-25-22-12-17-38(26-23(29(30,31)32)7-6-14-34-26)18-13-24(22)36-27(37-25)39-15-4-3-5-16-39/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,35,36,37)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay				Bioorg Med Chem Lett 20: 7137-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.023 BindingDB Entry DOI: 10.7270/Q29W0FQ5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50331131 (2-methyl-2-(4-(2-(piperidin-1-yl)-7-(3-(trifluorom...) Show SMILES CC(C)(C#N)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1 Show InChI InChI=1S/C29H32F3N7/c1-28(2,19-33)20-8-10-21(11-9-20)35-25-22-12-17-38(26-23(29(30,31)32)7-6-14-34-26)18-13-24(22)36-27(37-25)39-15-4-3-5-16-39/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA N.V. US Patent					Assay Description HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...				US Patent US9738649 (2017) BindingDB Entry DOI: 10.7270/Q2G73GVH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50331131 (2-methyl-2-(4-(2-(piperidin-1-yl)-7-(3-(trifluorom...) Show SMILES CC(C)(C#N)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1 Show InChI InChI=1S/C29H32F3N7/c1-28(2,19-33)20-8-10-21(11-9-20)35-25-22-12-17-38(26-23(29(30,31)32)7-6-14-34-26)18-13-24(22)36-27(37-25)39-15-4-3-5-16-39/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...				US Patent US9422293 (2016) BindingDB Entry DOI: 10.7270/Q2P55MD8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50331131 (2-methyl-2-(4-(2-(piperidin-1-yl)-7-(3-(trifluorom...) Show SMILES CC(C)(C#N)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1 Show InChI InChI=1S/C29H32F3N7/c1-28(2,19-33)20-8-10-21(11-9-20)35-25-22-12-17-38(26-23(29(30,31)32)7-6-14-34-26)18-13-24(22)36-27(37-25)39-15-4-3-5-16-39/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica NV US Patent					Assay Description The assay was performed as described below, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection mark...				US Patent US9422293 (2016) BindingDB Entry DOI: 10.7270/Q2P55MD8
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50331131 (2-methyl-2-(4-(2-(piperidin-1-yl)-7-(3-(trifluorom...) Show SMILES CC(C)(C#N)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1 Show InChI InChI=1S/C29H32F3N7/c1-28(2,19-33)20-8-10-21(11-9-20)35-25-22-12-17-38(26-23(29(30,31)32)7-6-14-34-26)18-13-24(22)36-27(37-25)39-15-4-3-5-16-39/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA N.V. US Patent					Assay Description The assay was performed as described above, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection mark...				US Patent US9738649 (2017) BindingDB Entry DOI: 10.7270/Q2G73GVH
					More data for this Ligand-Target Pair