BDBM50289395 (S)-3-(2-{6-Butyl-3-[(naphthalene-1-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-acetylamino)-4-oxo-5-phenoxy-pentanoic acid::CHEMBL280794

SMILES: CCCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1

InChI Key: InChIKey=WPYAUAIKNRPBAE-NDEPHWFRSA-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 = 50289395   

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))	BDBM50289395 ((S)-3-(2-{6-Butyl-3-[(naphthalene-1-carbonyl)-amin...) Show SMILES CCCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C33H33N3O7/c1-2-3-12-23-17-18-27(35-32(41)26-16-9-11-22-10-7-8-15-25(22)26)33(42)36(23)20-30(38)34-28(19-31(39)40)29(37)21-43-24-13-5-4-6-14-24/h4-11,13-18,28H,2-3,12,19-21H2,1H3,(H,34,38)(H,35,41)(H,39,40)/t28-/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	16	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
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