BDBM50068965 3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-5-pyrrolidin-1-yl-pentanoic acid::CHEMBL424953

SMILES: CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O

InChI Key: InChIKey=VYQPSHHDKCMIJM-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 = 50068965   

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))	BDBM50068965 (3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N4O6/c1-2-24(28(38)31-23(17-26(35)36)25(34)18-32-13-5-6-14-32)33-15-7-10-22(29(33)39)30-27(37)21-12-11-19-8-3-4-9-20(19)16-21/h3-4,7-12,15-16,23-24H,2,5-6,13-14,17-18H2,1H3,(H,30,37)(H,31,38)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair