BDBM50289407 (S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-2-pyridin-2-yl-acetylamino)-4-oxo-5-phenoxy-pentanoic acid::CHEMBL26359

SMILES: OC(=O)C[C@H](NC(=O)C(c1ccccn1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1

InChI Key: InChIKey=DCWOSYBSVWRVTH-NPHAVVRNSA-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 = 50289407   

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))	BDBM50289407 ((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...) Show SMILES OC(=O)C[C@H](NC(=O)C(c1ccccn1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C34H28N4O7/c39-29(21-45-25-11-2-1-3-12-25)28(20-30(40)41)37-33(43)31(26-13-6-7-17-35-26)38-18-8-14-27(34(38)44)36-32(42)24-16-15-22-9-4-5-10-23(22)19-24/h1-19,28,31H,20-21H2,(H,36,42)(H,37,43)(H,40,41)/t28-,31?/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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
					More data for this Ligand-Target Pair