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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 = 'BDBM50539800'   
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))
BDBM50539800
PNG
(CHEMBL4632358)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C29H26N6O3S/c1-29(25-8-4-6-12-30-25,26-9-5-7-13-31-26)35-15-11-21-23(33-39(3,37)38)16-19(17-24(21)35)22-18-34(2)27-20(22)10-14-32-28(27)36/h4-18,33H,1-3H3,(H,32,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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 2 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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50539800
PNG
(CHEMBL4632358)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C29H26N6O3S/c1-29(25-8-4-6-12-30-25,26-9-5-7-13-31-26)35-15-11-21-23(33-39(3,37)38)16-19(17-24(21)35)22-18-34(2)27-20(22)10-14-32-28(27)36/h4-18,33H,1-3H3,(H,32,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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