BDBM50289404 (S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo-6-phenyl-2H-pyridin-1-yl}-acetylamino)-4-oxo-5-phenoxy-pentanoic acid::CHEMBL444034

SMILES: OC(=O)C[C@H](NC(=O)Cn1c(ccc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1)C(=O)COc1ccccc1

InChI Key: InChIKey=QAWLNQVKHNZGKD-LJAQVGFWSA-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 = 50289404   

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))	BDBM50289404 ((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1)C(=O)COc1ccccc1 Show InChI InChI=1S/C35H29N3O7/c39-31(22-45-25-14-5-2-6-15-25)29(20-33(41)42)36-32(40)21-38-30(24-11-3-1-4-12-24)19-18-28(35(38)44)37-34(43)27-17-9-13-23-10-7-8-16-26(23)27/h1-19,29H,20-22H2,(H,36,40)(H,37,43)(H,41,42)/t29-/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	25	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