BDBM50068962 (S)-5-(Butyl-methyl-amino)-3-(2-{3-[(naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL173677

SMILES: CCCCN(C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O

InChI Key: InChIKey=FOPISODUPUNAHD-SKCDSABHSA-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 = 50068962   

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))	BDBM50068962 ((S)-5-(Butyl-methyl-amino)-3-(2-{3-[(naphthalene-2...) Show SMILES CCCCN(C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H36N4O6/c1-4-6-15-33(3)19-26(35)24(18-27(36)37)32-29(39)25(5-2)34-16-9-12-23(30(34)40)31-28(38)22-14-13-20-10-7-8-11-21(20)17-22/h7-14,16-17,24-25H,4-6,15,18-19H2,1-3H3,(H,31,38)(H,32,39)(H,36,37)/t24-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	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