BDBM267 (3S)-3-{[6-(benzenesulfonamidomethyl)pyridin-3-yl]formamido}-4-oxobutanoic acid::(S)-3-{[6-(Benzenesulfonylamino-methyl)pyridine-3-carbonyl]amino}-4-oxo-butyric Acid Trifluoroacetate::Inhibitor 48::Pyridine Scaffold 48

SMILES: OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)nc1)C=O

InChI Key: InChIKey=OKXHJSNMCKNGQC-AWEZNQCLSA-N

Data: 1 KI

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 = 267   

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))	BDBM267 ((3S)-3-{[6-(benzenesulfonamidomethyl)pyridin-3-yl]...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)nc1)C=O |r| Show InChI InChI=1S/C17H17N3O6S/c21-11-14(8-16(22)23)20-17(24)12-6-7-13(18-9-12)10-19-27(25,26)15-4-2-1-3-5-15/h1-7,9,11,14,19H,8,10H2,(H,20,24)(H,22,23)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	-7.87	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals									J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair