Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM244931'   

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))	BDBM244931 (US9422293, 159 | US9738649, Example 159) Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1[N+]([O-])=O Show InChI InChI=1S/C29H34F3N7O2/c1-28(2,3)21-10-9-19(18-24(21)39(40)41)34-25-20-11-16-37(26-22(29(30,31)32)8-7-13-33-26)17-12-23(20)35-27(36-25)38-14-5-4-6-15-38/h7-10,13,18H,4-6,11-12,14-17H2,1-3H3,(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM244931 (US9422293, 159 | US9738649, Example 159) Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1[N+]([O-])=O Show InChI InChI=1S/C29H34F3N7O2/c1-28(2,3)21-10-9-19(18-24(21)39(40)41)34-25-20-11-16-37(26-22(29(30,31)32)8-7-13-33-26)17-12-23(20)35-27(36-25)38-14-5-4-6-15-38/h7-10,13,18H,4-6,11-12,14-17H2,1-3H3,(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM244931 (US9422293, 159 | US9738649, Example 159) Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1[N+]([O-])=O Show InChI InChI=1S/C29H34F3N7O2/c1-28(2,3)21-10-9-19(18-24(21)39(40)41)34-25-20-11-16-37(26-22(29(30,31)32)8-7-13-33-26)17-12-23(20)35-27(36-25)38-14-5-4-6-15-38/h7-10,13,18H,4-6,11-12,14-17H2,1-3H3,(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM244931 (US9422293, 159 | US9738649, Example 159) Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1[N+]([O-])=O Show InChI InChI=1S/C29H34F3N7O2/c1-28(2,3)21-10-9-19(18-24(21)39(40)41)34-25-20-11-16-37(26-22(29(30,31)32)8-7-13-33-26)17-12-23(20)35-27(36-25)38-14-5-4-6-15-38/h7-10,13,18H,4-6,11-12,14-17H2,1-3H3,(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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