BDBM50071545 (S)-3-Benzyloxycarbonylamino-5-[2-(2,6-dichloro-phenyl)-acetoxy]-4-oxo-pentanoic acid::CHEMBL309065

SMILES: OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1c(Cl)cccc1Cl

InChI Key: InChIKey=FPKXAUXDDALABQ-KRWDZBQOSA-N

Data: 1 IC50

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 = 50071545   

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))	BDBM50071545 ((S)-3-Benzyloxycarbonylamino-5-[2-(2,6-dichloro-ph...) Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1c(Cl)cccc1Cl Show InChI InChI=1S/C21H19Cl2NO7/c22-15-7-4-8-16(23)14(15)9-20(28)30-12-18(25)17(10-19(26)27)24-21(29)31-11-13-5-2-1-3-6-13/h1-8,17H,9-12H2,(H,24,29)(H,26,27)/t17-/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	n/a	n/a	742	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (combinatorially prepared compound)				Bioorg Med Chem Lett 8: 2309-14 (1999) BindingDB Entry DOI: 10.7270/Q2F47N9K
					More data for this Ligand-Target Pair