Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-4' and Ligand = 'BDBM50426566'   

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))	BDBM50426566 (CHEMBL2324341) Show SMILES CCOC(=O)\C=C\[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C33H40N4O11/c1-4-47-27(42)16-15-23(17-25(38)39)34-31(44)28(20(2)3)36-32(45)29(22-13-9-6-10-14-22)37-30(43)24(18-26(40)41)35-33(46)48-19-21-11-7-5-8-12-21/h5-16,20,23-24,28-29H,4,17-19H2,1-3H3,(H,34,44)(H,35,46)(H,36,45)(H,37,43)(H,38,39)(H,40,41)/b16-15+/t23-,24+,28+,29+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of caspase-4 (unknown origin)				ACS Med Chem Lett 4: 163-4 (2013) Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86
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