Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50331120'   

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))	BDBM50331120 (2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...) Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)	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	32	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
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50331120 (2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...) Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)	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	32	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 (Homo sapiens (Human))	BDBM50331120 (2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...) Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)	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	50	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))	BDBM50331120 (2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...) Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)	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	50	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))	BDBM50331120 (2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...) Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)	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	130	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))	BDBM50331120 (2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...) Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)	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	170	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))	BDBM50331120 (2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...) Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)	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	170	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 (Rattus norvegicus (rat))	BDBM50331120 (2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...) Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)	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	250	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))	BDBM50331120 (2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-...) Show SMILES CC(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H22F6N6/c1-13(2)19-32-17-8-11-35(21-16(23(27,28)29)4-3-9-30-21)10-7-15(17)20(34-19)33-18-6-5-14(12-31-18)22(24,25)26/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,31,32,33,34)	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	250	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