Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM50240930'   

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))	BDBM50240930 (CHEMBL4093898) Show SMILES CCn1c(=O)n(C)c2nc(S)n(C)c2c1=O Show InChI InChI=1S/C9H12N4O2S/c1-4-13-7(14)5-6(12(3)9(13)15)10-8(16)11(5)2/h4H2,1-3H3,(H,10,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory Chemical Biology Discovery Center Emory University School of Medicine Atlanta Curated by ChEMBL					Assay Description Inhibition of caspase-3 (unknown origin)				J Med Chem 60: 7244-7255 (2017) Article DOI: 10.1021/acs.jmedchem.7b00228 BindingDB Entry DOI: 10.7270/Q2542QRV
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