Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM452929'   

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 A member 1 (Homo sapiens (Human))	BDBM452929 (7-methyl-1-[[3- [(1S,5S,6R)-3-(3,4,5- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(F)c(F)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-15-27-19(28-32-15)16-11-2-9(3-12(11)16)10-4-13(22)17(24)14(23)5-10/h2,4-5,7-8,11-12,16H,3,6H2,1H3/t11-,12+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452929 (7-methyl-1-[[3- [(1S,5S,6R)-3-(3,4,5- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(F)c(F)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-15-27-19(28-32-15)16-11-2-9(3-12(11)16)10-4-13(22)17(24)14(23)5-10/h2,4-5,7-8,11-12,16H,3,6H2,1H3/t11-,12+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452929 (7-methyl-1-[[3- [(1S,5S,6R)-3-(3,4,5- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(F)c(F)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-15-27-19(28-32-15)16-11-2-9(3-12(11)16)10-4-13(22)17(24)14(23)5-10/h2,4-5,7-8,11-12,16H,3,6H2,1H3/t11-,12+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452929 (7-methyl-1-[[3- [(1S,5S,6R)-3-(3,4,5- trifluorophe...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(F)c(F)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C21H15F3N6O2/c1-29-7-25-20-18(29)21(31)30(8-26-20)6-15-27-19(28-32-15)16-11-2-9(3-12(11)16)10-4-13(22)17(24)14(23)5-10/h2,4-5,7-8,11-12,16H,3,6H2,1H3/t11-,12+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10711004 (2020) BindingDB Entry DOI: 10.7270/Q21839K5
					More data for this Ligand-Target Pair