Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 SUMO-protein ligase CBX4' and Ligand = 'BDBM50194459'   

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
E3 SUMO-protein ligase CBX4 (Homo sapiens (Human))	BDBM50194459 (CHEMBL3916833) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C37H53N7O9/c1-23(2)19-28(36(51)42-27(17-11-12-18-38)34(49)44-30(22-45)37(52)53-4)43-32(47)24(3)40-35(50)29(20-25-13-7-5-8-14-25)41-31(46)21-39-33(48)26-15-9-6-10-16-26/h5-10,13-16,23-24,27-30,45H,11-12,17-22,38H2,1-4H3,(H,39,48)(H,40,50)(H,41,46)(H,42,51)(H,43,47)(H,44,49)/t24-,27-,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Antagonist activity at recombinant human N-terminal His-tagged CBX4 chromodomain (8 to 65 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...				J Med Chem 59: 8913-8923 (2016) Article DOI: 10.1021/acs.jmedchem.6b00801 BindingDB Entry DOI: 10.7270/Q2H1340D
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