Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 501.3 BDBM50461500

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))	BDBM50461500 (CHEMBL4224986) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccon1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C21H19F4N3O7/c22-11-7-12(23)18(25)19(17(11)24)34-9-15(29)14(8-16(30)31)26-20(32)10-1-4-28(5-2-10)21(33)13-3-6-35-27-13/h3,6-7,10,14H,1-2,4-5,8-9H2,(H,26,32)(H,30,31)/t14-/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	20	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
					More data for this Ligand-Target Pair