Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 SUMO-protein ligase CBX4' and Ligand = 'BDBM50194474'   

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))	BDBM50194474 (CHEMBL3953637) Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CC)cc1)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C41H62N6O8/c1-8-29-19-21-31(22-20-29)37(50)45-34(25-30-16-12-11-13-17-30)39(52)42-28(6)36(49)44-33(24-27(4)5)40(53)43-32(18-14-15-23-47(9-2)10-3)38(51)46-35(26-48)41(54)55-7/h11-13,16-17,19-22,27-28,32-35,48H,8-10,14-15,18,23-26H2,1-7H3,(H,42,52)(H,43,53)(H,44,49)(H,45,50)(H,46,51)/t28-,32-,33-,34-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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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