BDBM10581 (3S)-3-{[5-(cyclopropylsulfamoyl)pyridin-3-yl]formamido}-5-(naphthalen-1-ylcarbonyloxy)-4-oxopentanoic acid::nicotinyl aspartyl ketone 36

SMILES: OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)COC(=O)c1cccc2ccccc12

InChI Key: InChIKey=LWPFULBNAJIXGF-NRFANRHFSA-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 = 10581   

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))	BDBM10581 ((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)COC(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C25H23N3O8S/c29-22(14-36-25(33)20-7-3-5-15-4-1-2-6-19(15)20)21(11-23(30)31)27-24(32)16-10-18(13-26-12-16)37(34,35)28-17-8-9-17/h1-7,10,12-13,17,21,28H,8-9,11,14H2,(H,27,32)(H,30,31)/t21-/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	130	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