BDBM50281184 (S)-3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)-butyrylamino]-propionylamino}-4-oxo-7-phenyl-heptanoic acid::CHEMBL90884

SMILES: CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1

InChI Key: InChIKey=PABZSOUNSSUXIN-VSPOGIRPSA-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 = 50281184   

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))	BDBM50281184 ((S)-3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylam...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 Show InChI InChI=1S/C30H39N3O6/c1-20(2)28(33-26(35)18-17-23-13-8-5-9-14-23)30(39)31-21(3)29(38)32-24(19-27(36)37)25(34)16-10-15-22-11-6-4-7-12-22/h4-9,11-14,20-21,24,28H,10,15-19H2,1-3H3,(H,31,39)(H,32,38)(H,33,35)(H,36,37)/t21-,24-,28-/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	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against IL-1 beta converting enzyme				Bioorg Med Chem Lett 3: 2689-2692 (1993) Article DOI: 10.1016/S0960-894X(01)80743-5 BindingDB Entry DOI: 10.7270/Q2BV7GJZ
					More data for this Ligand-Target Pair