BDBM50325269 (S)-5-(benzamidooxy)-3-(benzyloxycarbonylamino)-4-oxopentanoic acid::CHEMBL1223037

SMILES: OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)c1ccccc1

InChI Key: InChIKey=CUOIOFLKVKEJSV-INIZCTEOSA-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 = 50325269   

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))	BDBM50325269 ((S)-5-(benzamidooxy)-3-(benzyloxycarbonylamino)-4-...) Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CONC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H20N2O7/c23-17(13-29-22-19(26)15-9-5-2-6-10-15)16(11-18(24)25)21-20(27)28-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,27)(H,22,26)(H,24,25)/t16-/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	2.10E+4	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