Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 569.5 BDBM50461515

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))	BDBM50461515 (CHEMBL4225855) Show SMILES CC(C)(C)c1ccccc1NC(=O)C(=O)NCCC(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C26H27F4N3O7/c1-26(2,3)13-6-4-5-7-16(13)33-25(39)24(38)31-9-8-19(35)32-17(11-20(36)37)18(34)12-40-23-21(29)14(27)10-15(28)22(23)30/h4-7,10,17H,8-9,11-12H2,1-3H3,(H,31,38)(H,32,35)(H,33,39)(H,36,37)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
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