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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 = 'BDBM50241750'   
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))
BDBM50241750
PNG
(CHEMBL4088769)
Show SMILES Cn1cc(ccc1=O)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C18H15NO2/c1-19-13-14(11-12-18(19)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-13H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
890n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50241750
PNG
(CHEMBL4088769)
Show SMILES Cn1cc(ccc1=O)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C18H15NO2/c1-19-13-14(11-12-18(19)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-13H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.10E+3n/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair