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 = 'BDBM50318468'   

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))	BDBM50318468 (CHEMBL1083804 | N-(4-(4-chloro-3-methylphenyl)thia...) Show SMILES CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(C)c3)c2C1=O Show InChI InChI=1S/C21H16ClN3O3S/c1-11-8-12(6-7-15(11)22)16-10-29-21(23-16)24-17(26)9-13-4-3-5-14-18(13)20(28)25(2)19(14)27/h3-8,10H,9H2,1-2H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Antagonist activity at TRPA1 channel				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
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