BDBM50284721 3-Allyloxycarbonylamino-5-benzylamino-4-oxo-pentanoic acid::CHEMBL286945

SMILES: OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNCc1ccccc1

InChI Key: InChIKey=BVCXMTLCMLGLKJ-ZDUSSCGKSA-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 = 50284721   

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))	BDBM50284721 (3-Allyloxycarbonylamino-5-benzylamino-4-oxo-pentan...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNCc1ccccc1 Show InChI InChI=1S/C16H20N2O5/c1-2-8-23-16(22)18-13(9-15(20)21)14(19)11-17-10-12-6-4-3-5-7-12/h2-7,13,17H,1,8-11H2,(H,18,22)(H,20,21)/t13-/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	>1.00E+5	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				Bioorg Med Chem Lett 5: 1405-1408 (1995) Article DOI: 10.1016/0960-894X(95)00231-H BindingDB Entry DOI: 10.7270/Q26T0MKT
					More data for this Ligand-Target Pair