Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystathionine beta-synthase' and Ligand = 'BDBM50064291'   

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
Cystathionine beta-synthase (Homo sapiens (Human))	BDBM50064291 (CHEMBL1957775) Show SMILES COc1cc(\C=C2/NC(=S)NC2=O)ccc1O Show InChI InChI=1S/C11H10N2O3S/c1-16-9-5-6(2-3-8(9)14)4-7-10(15)13-11(17)12-7/h2-5,14H,1H3,(H2,12,13,15,17)/b7-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...				Bioorg Med Chem Lett 25: 1064-6 (2015) Article DOI: 10.1016/j.bmcl.2015.01.013 BindingDB Entry DOI: 10.7270/Q2MW2JT9
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