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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 = 'BDBM50520656'   
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))
BDBM50520656
PNG
(CHEMBL4449965)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#C
Show InChI InChI=1S/C18H15N3OS/c1-3-16-14(9-13-7-5-4-6-8-13)15-10-22-11-17-20-19-12(2)21(17)18(15)23-16/h1,4-8H,9-11H2,2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay


J Med Chem 61: 6685-6704 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50520656
PNG
(CHEMBL4449965)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#C
Show InChI InChI=1S/C18H15N3OS/c1-3-16-14(9-13-7-5-4-6-8-13)15-10-22-11-17-20-19-12(2)21(17)18(15)23-16/h1,4-8H,9-11H2,2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay


J Med Chem 61: 6685-6704 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54
More data for this
Ligand-Target Pair