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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 = 'BDBM50096319'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096319
PNG
(CHEMBL3586718)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C23H19N3O/c1-16-8-7-9-17(2)22(16)26-21(14-13-18-10-5-6-15-24-18)25-20-12-4-3-11-19(20)23(26)27/h3-15H,1-2H3/b14-13+
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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...


J Med Chem 61: 8321-8336 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00862
BindingDB Entry DOI: 10.7270/Q2125WBR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50096319
PNG
(CHEMBL3586718)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C23H19N3O/c1-16-8-7-9-17(2)22(16)26-21(14-13-18-10-5-6-15-24-18)25-20-12-4-3-11-19(20)23(26)27/h3-15H,1-2H3/b14-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair