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BDBM50276604 CHEMBL4161361

SMILES: CC1N(CCN2CCOCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O

InChI Key: InChIKey=UEHHJZLMJXSPFR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276604   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50276604
PNG
(CHEMBL4161361)
Show SMILES CC1N(CCN2CCOCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2N(C)C1=O
Show InChI InChI=1S/C23H30N4O4S/c1-17-4-7-20(8-5-17)32(29,30)24-19-6-9-21-22(16-19)27(18(2)23(28)25(21)3)11-10-26-12-14-31-15-13-26/h4-9,16,18,24H,10-15H2,1-3H3
PDB

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Similars

Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...


Eur J Med Chem 137: 176-195 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.049
BindingDB Entry DOI: 10.7270/Q2X069J5
More data for this
Ligand-Target Pair