BDBM50282984 3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)-butyrylamino]-propionylamino}-4-oxo-5-(3-phenyl-propylsulfanyl)-pentanoic acid::CHEMBL59463

SMILES: CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CSCCCc1ccccc1

InChI Key: InChIKey=YILOECGGEHYBNX-AJVLTAKJSA-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 = 50282984   

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))	BDBM50282984 (3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CSCCCc1ccccc1 Show InChI InChI=1S/C31H41N3O6S/c1-21(2)29(34-27(36)17-16-24-13-8-5-9-14-24)31(40)32-22(3)30(39)33-25(19-28(37)38)26(35)20-41-18-10-15-23-11-6-4-7-12-23/h4-9,11-14,21-22,25,29H,10,15-20H2,1-3H3,(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t22-,25?,29-/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	11	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
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