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BDBM331360 5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-(methylsulfanyl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2::US9725449, Example 194

SMILES: CSc1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C

InChI Key: InChIKey=COHDTCZINKQONW-AREMUKBSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 331360   
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 BRD4


(Homo sapiens (Human))
BDBM331360
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-(methylsulfa...)
Show SMILES CSc1ccc2c(n1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C
Show InChI InChI=1S/C27H28N6OS/c1-17-25(32(2)31-30-17)20-15-22-24(28-16-20)21-9-10-23(35-3)29-27(21)33(22)26(18-7-5-4-6-8-18)19-11-13-34-14-12-19/h4-10,15-16,19,26H,11-14H2,1-3H3/t26-/m1/s1
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MMDB

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US Patent
n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair