BDBM50064264 CHEMBL3403662

SMILES: COc1cc(\C=C2/N=C(SC)N(C)C2=O)ccc1O

InChI Key: InChIKey=JVOAUGFKAWZYFV-TWGQIWQCSA-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 = 50064264   

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))	BDBM50064264 (CHEMBL3403662) Show SMILES COc1cc(\C=C2/N=C(SC)N(C)C2=O)ccc1O |t:7| Show InChI InChI=1S/C13H14N2O3S/c1-15-12(17)9(14-13(15)19-3)6-8-4-5-10(16)11(7-8)18-2/h4-7,16H,1-3H3/b9-6-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+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