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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 = 'BDBM50256356'   
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))
BDBM50256356
PNG
(CHEMBL4104934)
Show SMILES Cc1[nH]c(c2CCNC(=O)c12)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C20H18N2O2/c1-13-18-16(11-12-21-20(18)23)19(22-13)15-9-5-6-10-17(15)24-14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
340n/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))
BDBM50256356
PNG
(CHEMBL4104934)
Show SMILES Cc1[nH]c(c2CCNC(=O)c12)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C20H18N2O2/c1-13-18-16(11-12-21-20(18)23)19(22-13)15-9-5-6-10-17(15)24-14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 280n/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