BDBM50139701 3-Benzyloxycarbonylamino-5-(2-naphthalen-1-yl-ethanesulfonylamino)-4-oxo-pentanoic acid::CHEMBL167557

SMILES: OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1cccc2ccccc12

InChI Key: InChIKey=FGWZMPFPJCRMQG-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50139701   

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))	BDBM50139701 (3-Benzyloxycarbonylamino-5-(2-naphthalen-1-yl-etha...) Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1cccc2ccccc12 Show InChI InChI=1S/C25H26N2O7S/c28-23(22(15-24(29)30)27-25(31)34-17-18-7-2-1-3-8-18)16-26-35(32,33)14-13-20-11-6-10-19-9-4-5-12-21(19)20/h1-12,22,26H,13-17H2,(H,27,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against caspase-1				Bioorg Med Chem Lett 14: 809-12 (2004) BindingDB Entry DOI: 10.7270/Q2FB52CR
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50139701 (3-Benzyloxycarbonylamino-5-(2-naphthalen-1-yl-etha...) Show SMILES OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNS(=O)(=O)CCc1cccc2ccccc12 Show InChI InChI=1S/C25H26N2O7S/c28-23(22(15-24(29)30)27-25(31)34-17-18-7-2-1-3-8-18)16-26-35(32,33)14-13-20-11-6-10-19-9-4-5-12-21(19)20/h1-12,22,26H,13-17H2,(H,27,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against caspase-1				Bioorg Med Chem Lett 14: 809-12 (2004) BindingDB Entry DOI: 10.7270/Q2FB52CR
					More data for this Ligand-Target Pair