BDBM50284741 3-(3-Allyloxycarbonylamino-4-carboxy-2-oxo-butoxy)-naphthalene-2-carboxylic acid methyl ester::CHEMBL30664

SMILES: COC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C

InChI Key: InChIKey=RSBFRTBRPDBZBN-UHFFFAOYSA-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 = 50284741   

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))	BDBM50284741 (3-(3-Allyloxycarbonylamino-4-carboxy-2-oxo-butoxy)...) Show SMILES COC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C21H21NO8/c1-3-8-29-21(27)22-16(11-19(24)25)17(23)12-30-18-10-14-7-5-4-6-13(14)9-15(18)20(26)28-2/h3-7,9-10,16H,1,8,11-12H2,2H3,(H,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair