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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50539797'   
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))
BDBM50539797
PNG
(CHEMBL4635722)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(CC4(C)COC4)c3c2)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C22H24N4O4S/c1-22(12-30-13-22)11-26-7-5-16-18(24-31(3,28)29)8-14(9-19(16)26)17-10-25(2)20-15(17)4-6-23-21(20)27/h4-10,24H,11-13H2,1-3H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...


J Med Chem 63: 7186-7210 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00456
BindingDB Entry DOI: 10.7270/Q2PK0KPP
More data for this
Ligand-Target Pair