BDBM50161463 5-Fluoro-4-oxo-3-((S)-2-phenylcarbamoyloxy-propionylamino)-pentanoic acid::CHEMBL182247

SMILES: C[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF

InChI Key: InChIKey=AGIKVMCVWXSLID-FTNKSUMCSA-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 = 50161463   

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-3 (Homo sapiens (Human))	BDBM50161463 (5-Fluoro-4-oxo-3-((S)-2-phenylcarbamoyloxy-propion...) Show SMILES C[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF Show InChI InChI=1S/C15H17FN2O6/c1-9(24-15(23)17-10-5-3-2-4-6-10)14(22)18-11(7-13(20)21)12(19)8-16/h2-6,9,11H,7-8H2,1H3,(H,17,23)(H,18,22)(H,20,21)/t9-,11?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human caspase-3				Bioorg Med Chem Lett 15: 1379-83 (2005) Article DOI: 10.1016/j.bmcl.2005.01.007 BindingDB Entry DOI: 10.7270/Q26H4GX2
					More data for this Ligand-Target Pair