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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 = 'BDBM50256351'   
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))
BDBM50256351
PNG
(CHEMBL4065327)
Show SMILES Cc1[nH]c(cc1C(N)=O)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C18H16N2O2/c1-12-15(18(19)21)11-16(20-12)14-9-5-6-10-17(14)22-13-7-3-2-4-8-13/h2-11,20H,1H3,(H2,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256351
PNG
(CHEMBL4065327)
Show SMILES Cc1[nH]c(cc1C(N)=O)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C18H16N2O2/c1-12-15(18(19)21)11-16(20-12)14-9-5-6-10-17(14)22-13-7-3-2-4-8-13/h2-11,20H,1H3,(H2,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 450n/an/an/an/a



AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA.

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.057
BindingDB Entry DOI: 10.7270/Q20P12FJ
More data for this
Ligand-Target Pair