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BDBM193889 8(R)-4-benzyl-6-(3,5-dimethylisoxazol-4-yl)-3-(hydroxymethyl)-3,4-dihydroquinoxalin-2(1H)-one (5h)

SMILES: Cc1noc(C)c1-c1ccc2NC(=O)C(CO)N(Cc3ccccc3)c2c1

InChI Key: InChIKey=ZURFJCASAUMHCZ-UHFFFAOYNA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 193889   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM193889
PNG
(8(R)-4-benzyl-6-(3,5-dimethylisoxazol-4-yl)-3-(hyd...)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(CO)N(Cc3ccccc3)c2c1
Show InChI InChI=1/C21H21N3O3/c1-13-20(14(2)27-23-13)16-8-9-17-18(10-16)24(19(12-25)21(26)22-17)11-15-6-4-3-5-7-15/h3-10,19,25H,11-12H2,1-2H3,(H,22,26)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 650n/an/an/an/an/a25



China Pharmaceutical University



Assay Description
11 compounds were evaluated against BRD4-BD1 in vitro with compound 28a as the reference compound. BRD4 (44-168 aa) was bought from Active Motif. Aft...


Bioorg Chem 68: 236-44 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.009
BindingDB Entry DOI: 10.7270/Q2VM4B24
More data for this
Ligand-Target Pair