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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM274319'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM274319
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-di methyl-...)
Show SMILES COc1ncccc1-c1c(C2CC2)c2C(=O)N(C(c2n1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |(5.51,-2.51,;4.74,-1.18,;5.51,.15,;7.05,.15,;7.82,1.49,;7.05,2.82,;5.51,2.82,;4.74,1.49,;3.2,1.49,;2.3,2.73,;2.7,4.22,;3.79,5.31,;2.3,5.71,;.83,2.26,;-.63,2.73,;-1.4,4.07,;-1.54,1.49,;-.63,.24,;.83,.72,;2.3,.24,;3.07,-1.09,;-1.03,-1.25,;.06,-2.33,;-.34,-3.82,;-1.83,-4.22,;-2.23,-5.71,;-2.92,-3.13,;-2.52,-1.64,;-3.08,1.49,;-3.85,2.82,;-5.39,2.82,;-6.16,4.15,;-6.16,1.49,;-7.66,1.17,;-7.82,-.36,;-6.42,-.99,;-6.02,-2.48,;-5.39,.15,;-3.85,.15,)|
Show InChI InChI=1S/C30H27ClN6O2/c1-16-14-21(15-36-17(2)33-34-28(16)36)37-25(19-9-11-20(31)12-10-19)27-24(30(37)38)23(18-7-8-18)26(35(27)3)22-6-5-13-32-29(22)39-4/h5-6,9-15,18,25H,7-8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<11n/an/an/an/an/an/a



Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BRD4 (44 to 477 residues) (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay

J Med Chem 60: 4533-4558 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01761
BindingDB Entry DOI: 10.7270/Q27P91VQ
More data for this
Ligand-Target Pair