Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 436.8 BDBM50223113

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM50223113 (3-(2-(benzyloxycarbonyl)-4-chlorobenzamido)-5-fluo...) Show SMILES OC(=O)CC(NC(=O)c1ccc(Cl)cc1NC(=O)OCc1ccccc1)C(=O)CF Show InChI InChI=1S/C20H18ClFN2O6/c21-13-6-7-14(19(28)23-16(9-18(26)27)17(25)10-22)15(8-13)24-20(29)30-11-12-4-2-1-3-5-12/h1-8,16H,9-11H2,(H,23,28)(H,24,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
EpiCept Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 by fluorometric assay				Bioorg Med Chem Lett 17: 6178-82 (2007) Article DOI: 10.1016/j.bmcl.2007.09.030 BindingDB Entry DOI: 10.7270/Q21Z4450
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