BDBM50282980 5-(Benzyl-phenethyl-amino)-3-{(S)-2-[(S)-3-methyl-2-(3-phenyl-propionylamino)-butyrylamino]-propionylamino}-4-oxo-pentanoic acid::CHEMBL59362

SMILES: CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CN(CCc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=AMUHQZPKLUCKTP-ORTGVAEZSA-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 = 50282980   

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))	BDBM50282980 (5-(Benzyl-phenethyl-amino)-3-{(S)-2-[(S)-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CN(CCc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C37H46N4O6/c1-26(2)35(40-33(43)20-19-28-13-7-4-8-14-28)37(47)38-27(3)36(46)39-31(23-34(44)45)32(42)25-41(24-30-17-11-6-12-18-30)22-21-29-15-9-5-10-16-29/h4-18,26-27,31,35H,19-25H2,1-3H3,(H,38,47)(H,39,46)(H,40,43)(H,44,45)/t27-,31?,35-/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	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)				Bioorg Med Chem Lett 4: 1965-1968 (1994) Article DOI: 10.1016/S0960-894X(01)80544-8 BindingDB Entry DOI: 10.7270/Q24M94GD
					More data for this Ligand-Target Pair