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 = 'BDBM50331135'   

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))	BDBM50331135 (2-methyl-2-(4-(2-morpholino-7-(3-(trifluoromethyl)...) Show SMILES CC(C)(C(O)=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1 Show InChI InChI=1S/C28H31F3N6O3/c1-27(2,25(38)39)18-5-7-19(8-6-18)33-23-20-9-12-36(24-21(28(29,30)31)4-3-11-32-24)13-10-22(20)34-26(35-23)37-14-16-40-17-15-37/h3-8,11H,9-10,12-17H2,1-2H3,(H,38,39)(H,33,34,35)	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	120	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 (Homo sapiens (Human))	BDBM50331135 (2-methyl-2-(4-(2-morpholino-7-(3-(trifluoromethyl)...) Show SMILES CC(C)(C(O)=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1 Show InChI InChI=1S/C28H31F3N6O3/c1-27(2,25(38)39)18-5-7-19(8-6-18)33-23-20-9-12-36(24-21(28(29,30)31)4-3-11-32-24)13-10-22(20)34-26(35-23)37-14-16-40-17-15-37/h3-8,11H,9-10,12-17H2,1-2H3,(H,38,39)(H,33,34,35)	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	120	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))	BDBM50331135 (2-methyl-2-(4-(2-morpholino-7-(3-(trifluoromethyl)...) Show SMILES CC(C)(C(O)=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1 Show InChI InChI=1S/C28H31F3N6O3/c1-27(2,25(38)39)18-5-7-19(8-6-18)33-23-20-9-12-36(24-21(28(29,30)31)4-3-11-32-24)13-10-22(20)34-26(35-23)37-14-16-40-17-15-37/h3-8,11H,9-10,12-17H2,1-2H3,(H,38,39)(H,33,34,35)	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	230	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 (Rattus norvegicus (rat))	BDBM50331135 (2-methyl-2-(4-(2-morpholino-7-(3-(trifluoromethyl)...) Show SMILES CC(C)(C(O)=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1 Show InChI InChI=1S/C28H31F3N6O3/c1-27(2,25(38)39)18-5-7-19(8-6-18)33-23-20-9-12-36(24-21(28(29,30)31)4-3-11-32-24)13-10-22(20)34-26(35-23)37-14-16-40-17-15-37/h3-8,11H,9-10,12-17H2,1-2H3,(H,38,39)(H,33,34,35)	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	1.54E+3	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))	BDBM50331135 (2-methyl-2-(4-(2-morpholino-7-(3-(trifluoromethyl)...) Show SMILES CC(C)(C(O)=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1 Show InChI InChI=1S/C28H31F3N6O3/c1-27(2,25(38)39)18-5-7-19(8-6-18)33-23-20-9-12-36(24-21(28(29,30)31)4-3-11-32-24)13-10-22(20)34-26(35-23)37-14-16-40-17-15-37/h3-8,11H,9-10,12-17H2,1-2H3,(H,38,39)(H,33,34,35)	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	1.54E+3	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