Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.3 BDBM50171528

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))	BDBM50171528 (CHEMBL3806289) Show SMILES CN1C(=O)\C(=N/NC(=O)c2ccc(nc2C)-c2ccccc2F)c2ccccc12 Show InChI InChI=1S/C22H17FN4O2/c1-13-14(11-12-18(24-13)15-7-3-5-9-17(15)23)21(28)26-25-20-16-8-4-6-10-19(16)27(2)22(20)29/h3-12H,1-2H3,(H,26,28)/b25-20-	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	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Fifth Affiliated Hospital of Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant caspase 3 expressed in Escherichia coli using acetyl-Asp-Glu-Val-Asp-7- amido-4-methylcoumarin (Ac-DEVD-AM...				Bioorg Med Chem Lett 26: 3195-201 (2016) Article DOI: 10.1016/j.bmcl.2016.04.031 BindingDB Entry DOI: 10.7270/Q2X350CV
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