Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50140550   

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))	BDBM50140550 (3-((S)-2-Benzyloxycarbonylamino-3-thiophen-2-yl-pr...) Show SMILES OC(=O)CC(NC(=O)[C@H](Cc1cccs1)NC(=O)OCc1ccccc1)C(=O)CF Show InChI InChI=1S/C20H21FN2O6S/c21-11-17(24)15(10-18(25)26)22-19(27)16(9-14-7-4-8-30-14)23-20(28)29-12-13-5-2-1-3-6-13/h1-8,15-16H,9-12H2,(H,22,27)(H,23,28)(H,25,26)/t15?,16-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Caspase-3 enzyme				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
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