Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50466250'   

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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50466250 (CHEMBL4295090) Show SMILES CN(C)CCN1CCN(CC1)C(=O)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1c(C)noc1C Show InChI InChI=1S/C29H34ClN7O2/c1-19-26(20(2)39-34-19)22-8-9-25-24(17-22)27(31-18-21-6-5-7-23(30)16-21)33-28(32-25)29(38)37-14-12-36(13-15-37)11-10-35(3)4/h5-9,16-17H,10-15,18H2,1-4H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expres...				Bioorg Med Chem Lett 28: 3483-3488 (2018) Article DOI: 10.1016/j.bmcl.2018.08.039 BindingDB Entry DOI: 10.7270/Q28S4SKP
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