Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM50434078'   

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))	BDBM50434078 (CHEMBL2381349) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CC[C@@H](O)CO)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H24N2O7S/c1-27-11-12-3-2-7-20(12)28(25,26)14-4-5-16-15(9-14)17(23)18(24)19(16)8-6-13(22)10-21/h4-5,9,12-13,21-22H,2-3,6-8,10-11H2,1H3/t12-,13+/m0/s1	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	187	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-3 assessed as Ac-DEVD-AMC conversion to 7-amino-4-methylcoumarin incubated for 10 mins prior to substrate add...				J Med Chem 56: 4509-20 (2013) Article DOI: 10.1021/jm400257a BindingDB Entry DOI: 10.7270/Q2MP54N5
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