Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50540521'   

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))	BDBM50540521 (CHEMBL4632508) Show SMILES CC(C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O Show InChI InChI=1S/C20H29N5O/c1-15(2)19-17(14-22-24(4)20(19)26)21-13-16-7-5-6-8-18(16)25-11-9-23(3)10-12-25/h5-8,14-15,21H,9-13H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human partial length BRD4 (1) (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay				J Med Chem 63: 5816-5840 (2020) Article DOI: 10.1021/acs.jmedchem.0c00075 BindingDB Entry DOI: 10.7270/Q2MG7T12
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