BDBM50289392 (S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo-6-phenyl-2H-pyridin-1-yl}-pentanoylamino)-4-oxo-5-phenoxy-pentanoic acid::CHEMBL26027

SMILES: CCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1c(ccc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1

InChI Key: InChIKey=SWSXKGKFVAADHN-MOJIJOCKSA-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 = 50289392   

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))	BDBM50289392 ((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...) Show SMILES CCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1c(ccc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1 Show InChI InChI=1S/C38H35N3O7/c1-2-12-33(37(46)40-31(23-35(43)44)34(42)24-48-27-17-7-4-8-18-27)41-32(26-14-5-3-6-15-26)22-21-30(38(41)47)39-36(45)29-20-11-16-25-13-9-10-19-28(25)29/h3-11,13-22,31,33H,2,12,23-24H2,1H3,(H,39,45)(H,40,46)(H,43,44)/t31-,33?/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	7.20E+3	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