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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50200421'   
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))		BDBM50200421
PNG
(CHEMBL3985118 | US9763922, Example 173)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1)-c1cnn(C)c1)nn2C
Show InChI InChI=1S/C19H22N6O/c1-13(26)25-9-8-18-17(12-25)19(22-24(18)3)21-16-6-4-14(5-7-16)15-10-20-23(2)11-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 6.47E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...

US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50200421
PNG
(CHEMBL3985118 | US9763922, Example 173)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1)-c1cnn(C)c1)nn2C
Show InChI InChI=1S/C19H22N6O/c1-13(26)25-9-8-18-17(12-25)19(22-24(18)3)21-16-6-4-14(5-7-16)15-10-20-23(2)11-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay

J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair