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BDBM50276660 CHEMBL4174264

SMILES: CC1N(C2CCCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2NC1=O

InChI Key: InChIKey=NXHNREPMYPRNQG-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276660   
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))
BDBM50276660
PNG
(CHEMBL4174264)
Show SMILES CC1N(C2CCCC2)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2NC1=O
Show InChI InChI=1S/C21H25N3O3S/c1-14-7-10-18(11-8-14)28(26,27)23-16-9-12-19-20(13-16)24(15(2)21(25)22-19)17-5-3-4-6-17/h7-13,15,17,23H,3-6H2,1-2H3,(H,22,25)
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Article
PubMed
n/an/a>1.00E+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