Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-4' and Ligand = 'BDBM223313'   

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-4 (Homo sapiens (Human))	BDBM223313 (Tiaprofenic acid) Show SMILES CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	7.4	n/a
University of Colorado					Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...				Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX
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