BDBM50064263 CHEMBL3403663

SMILES: [Na+].C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3cccc(OS([O-])(=O)=O)c3cc21

InChI Key: InChIKey=OXHWTQBCGLHGQP-BDQAORGHSA-M

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064263   

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))	BDBM50064263 (CHEMBL3403663) Show SMILES [Na+].C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3cccc(OS([O-])(=O)=O)c3cc21 |r| Show InChI InChI=1S/C20H14O7S.Na/c1-20-6-5-15(21)13-9-26-19(17(13)20)18(22)12-7-10-3-2-4-16(27-28(23,24)25)11(10)8-14(12)20;/h2-4,7-9H,5-6H2,1H3,(H,23,24,25);/q;+1/p-1/t20-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+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
					More data for this Ligand-Target Pair