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BDBM331344 5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-(morpholin-4-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2::US9725449, Example 178

SMILES: Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CCOCC1

InChI Key: InChIKey=JIYISFZERCVGKC-GDLZYMKVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 331344   
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))		BDBM331344
PNG
(5-(Dimethyl-1H-1,2,3-triazol-5-yl)-11-(morpholin-4...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1nc(ccc21)N1CCOCC1 |r|
Show InChI InChI=1S/C30H33N7O2/c1-20-28(35(2)34-33-20)23-18-25-27(31-19-23)24-8-9-26(36-12-16-39-17-13-36)32-30(24)37(25)29(21-6-4-3-5-7-21)22-10-14-38-15-11-22/h3-9,18-19,22,29H,10-17H2,1-2H3/t29-/m1/s1
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US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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