Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM50363884'   

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))	BDBM50363884 (CHEMBL1947272) Show SMILES Cn1c2ccn(CC(=O)Nc3ccc(F)cc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H15FN4O3/c1-19-12-7-8-21(14(12)15(23)20(2)16(19)24)9-13(22)18-11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3,(H,18,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in human IMR90 cells assessed as inhibition of acrolein-induced calcium influx after 40 mins by fluoresc...				Bioorg Med Chem 20: 1690-8 (2012) Article DOI: 10.1016/j.bmc.2012.01.020 BindingDB Entry DOI: 10.7270/Q2NV9JQK
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