BDBM50284729 3-Allyloxycarbonylamino-5-(1,2-diphenyl-ethylamino)-4-oxo-pentanoic acid::CHEMBL31053

SMILES: OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNC(Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=CGIJJJUADBKOLS-ANYOKISRSA-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 = 50284729   

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))	BDBM50284729 (3-Allyloxycarbonylamino-5-(1,2-diphenyl-ethylamino...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNC(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H26N2O5/c1-2-13-30-23(29)25-20(15-22(27)28)21(26)16-24-19(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h2-12,19-20,24H,1,13-16H2,(H,25,29)(H,27,28)/t19?,20-/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	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes				Bioorg Med Chem Lett 5: 1405-1408 (1995) Article DOI: 10.1016/0960-894X(95)00231-H BindingDB Entry DOI: 10.7270/Q26T0MKT
					More data for this Ligand-Target Pair