BDBM10580 (3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]formamido}-4-oxo-4-phenoxybutanoic acid::nicotinyl aspartyl ketone 35

SMILES: OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)Oc1ccccc1

InChI Key: InChIKey=PZLXIYPNCYUOHN-INIZCTEOSA-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 = 10580   

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))	BDBM10580 ((3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]form...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O7S/c23-17(24)9-16(19(26)29-14-4-2-1-3-5-14)21-18(25)12-8-15(11-20-10-12)30(27,28)22-13-6-7-13/h1-5,8,10-11,13,16,22H,6-7,9H2,(H,21,25)(H,23,24)/t16-/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	390	n/a	n/a	n/a	n/a	n/a	n/a
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