BDBM50064289 CHEMBL3403661

SMILES: COc1cc(\C=C2/NC(=S)NC2=O)ccc1OC(C)=O

InChI Key: InChIKey=IQXKQUBTXQWMTF-UITAMQMPSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064289   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cystathionine beta-synthase (Homo sapiens (Human))	BDBM50064289 (CHEMBL3403661) Show SMILES COc1cc(\C=C2/NC(=S)NC2=O)ccc1OC(C)=O Show InChI InChI=1S/C13H12N2O4S/c1-7(16)19-10-4-3-8(6-11(10)18-2)5-9-12(17)15-13(20)14-9/h3-6H,1-2H3,(H2,14,15,17,20)/b9-5-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+4	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
					More data for this Ligand-Target Pair