Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM452961'   

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))	BDBM452961 (2-fluoro-4-[(1R,5R,6S)- 6-[5-[(7-methyl-6-oxo- pur...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(C#N)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C22H16FN7O2/c1-29-9-25-21-19(29)22(31)30(10-26-21)8-17-27-20(28-32-17)18-14-4-13(5-15(14)18)11-2-3-12(7-24)16(23)6-11/h2-4,6,9-10,14-15,18H,5,8H2,1H3/t14-,15+,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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))	BDBM452961 (2-fluoro-4-[(1R,5R,6S)- 6-[5-[(7-methyl-6-oxo- pur...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(C#N)c(F)c3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C22H16FN7O2/c1-29-9-25-21-19(29)22(31)30(10-26-21)8-17-27-20(28-32-17)18-14-4-13(5-15(14)18)11-2-3-12(7-24)16(23)6-11/h2-4,6,9-10,14-15,18H,5,8H2,1H3/t14-,15+,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.6	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