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SMILES: Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(OCC(F)F)c21)S(C)(=O)=O

InChI Key: InChIKey=NSOACKZVEKVZBF-HHHXNRCGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 331278   
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 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331278
PNG
(13-(2,2-Difluoroethoxy)-10-methanesulfonyl-5-[4-(2...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(cnc(OCC(F)F)c21)S(C)(=O)=O |r|
Show InChI InChI=1S/C29H30F2N6O4S/c1-17-26(36(2)35-34-17)20-13-21-25(32-14-20)24-28(22(42(3,38)39)15-33-29(24)41-16-23(30)31)37(21)27(18-7-5-4-6-8-18)19-9-11-40-12-10-19/h4-8,13-15,19,23,27H,9-12,16H2,1-3H3/t27-/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