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 = 'BDBM452787'   

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))	BDBM452787 (1-methyl-6-((3- ((1R,5R,6S)-3- phenylbicyclo[3.1.0...) Show SMILES Cn1nnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C20H17N7O2/c1-26-17-19(23-25-26)21-10-27(20(17)28)9-15-22-18(24-29-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h2-7,10,13-14,16H,8-9H2,1H3/t13-,14+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	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))	BDBM452787 (1-methyl-6-((3- ((1R,5R,6S)-3- phenylbicyclo[3.1.0...) Show SMILES Cn1nnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c12 |r,c:18| Show InChI InChI=1S/C20H17N7O2/c1-26-17-19(23-25-26)21-10-27(20(17)28)9-15-22-18(24-29-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h2-7,10,13-14,16H,8-9H2,1H3/t13-,14+,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	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