BDBM50326099 (S)-3-(benzyloxycarbonylamino)-5-(methylsulfonyl)pent-4-enoic acid::CHEMBL1242329

SMILES: CS(=O)(=O)C=C[C@H](CC(O)=O)NC(=O)OCc1ccccc1

InChI Key: InChIKey=BLYMHFKGEGHOMH-GFCCVEGCSA-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 = 50326099   

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
Caspase-3 (Homo sapiens (Human))	BDBM50326099 ((S)-3-(benzyloxycarbonylamino)-5-(methylsulfonyl)p...) Show SMILES CS(=O)(=O)C=C[C@H](CC(O)=O)NC(=O)OCc1ccccc1 |r,w:4.3| Show InChI InChI=1S/C14H17NO6S/c1-22(19,20)8-7-12(9-13(16)17)15-14(18)21-10-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,15,18)(H,16,17)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as fluorescent 7-amido-4-methylcoumarin release				Eur J Med Chem 45: 3858-63 (2010) Article DOI: 10.1016/j.ejmech.2010.05.039 BindingDB Entry DOI: 10.7270/Q2X63N59
					More data for this Ligand-Target Pair