BDBM10558 (3S)-4-oxo-3-(pyridin-2-ylformamido)butanoic acid::aspartyl aldehyde 5

SMILES: OC(=O)C[C@H](NC(=O)c1ccccn1)C=O

InChI Key: InChIKey=ODTNSYRWBQGPRL-ZETCQYMHSA-N

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 = 10558   

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))	BDBM10558 ((3S)-4-oxo-3-(pyridin-2-ylformamido)butanoic acid ...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccccn1)C=O |r| Show InChI InChI=1S/C10H10N2O4/c13-6-7(5-9(14)15)12-10(16)8-3-1-2-4-11-8/h1-4,6-7H,5H2,(H,12,16)(H,14,15)/t7-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	7.0	37
Merck Frosst Canada & Co.					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
					More data for this Ligand-Target Pair