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 = 'BDBM452934'   

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))	BDBM452934 (4-[(1S,5S,6R)-6-[5- [(7-methyl-6-oxo- purin-1-yl)m...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(cc3)C#N)c(=O)c12 |r,c:18| Show InChI InChI=1S/C22H17N7O2/c1-28-10-24-21-19(28)22(30)29(11-25-21)9-17-26-20(27-31-17)18-15-6-14(7-16(15)18)13-4-2-12(8-23)3-5-13/h2-6,10-11,15-16,18H,7,9H2,1H3/t15-,16+,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	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))	BDBM452934 (4-[(1S,5S,6R)-6-[5- [(7-methyl-6-oxo- purin-1-yl)m...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(cc3)C#N)c(=O)c12 |r,c:18| Show InChI InChI=1S/C22H17N7O2/c1-28-10-24-21-19(28)22(30)29(11-25-21)9-17-26-20(27-31-17)18-15-6-14(7-16(15)18)13-4-2-12(8-23)3-5-13/h2-6,10-11,15-16,18H,7,9H2,1H3/t15-,16+,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.7	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