BDBM50325255 (S)-3-(benzyloxycarbonylamino)-5-(2-(5-methylnaphthalen-1-yl)acetoxy)-4-oxopentanoic acid::CHEMBL1222758

SMILES: Cc1cccc2c(CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc3ccccc3)cccc12

InChI Key: InChIKey=DPBKOHUVTXHPEC-QFIPXVFZSA-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 = 50325255   

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-1 (Homo sapiens (Human))	BDBM50325255 ((S)-3-(benzyloxycarbonylamino)-5-(2-(5-methylnapht...) Show SMILES Cc1cccc2c(CC(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)OCc3ccccc3)cccc12 |r| Show InChI InChI=1S/C26H25NO7/c1-17-7-5-12-21-19(10-6-11-20(17)21)13-25(31)33-16-23(28)22(14-24(29)30)27-26(32)34-15-18-8-3-2-4-9-18/h2-12,22H,13-16H2,1H3,(H,27,32)(H,29,30)/t22-/m0/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem Lett 20: 5089-94 (2010) Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1
					More data for this Ligand-Target Pair