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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 = 'BDBM50520669'   
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))
BDBM50520669
PNG
(CHEMBL4544682)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cccnc1
Show InChI InChI=1S/C23H18N4OS/c1-16-25-26-22-15-28-14-20-19(12-17-6-3-2-4-7-17)21(29-23(20)27(16)22)10-9-18-8-5-11-24-13-18/h2-8,11,13H,12,14-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.10n/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))
BDBM50520669
PNG
(CHEMBL4544682)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cccnc1
Show InChI InChI=1S/C23H18N4OS/c1-16-25-26-22-15-28-14-20-19(12-17-6-3-2-4-7-17)21(29-23(20)27(16)22)10-9-18-8-5-11-24-13-18/h2-8,11,13H,12,14-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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