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SMILES: Cc1noc(C)c1-c1cnc2c(cn(C(=O)C3CCC(F)(F)CC3)c2c1)-c1cnn(C)c1

InChI Key: InChIKey=XMKLJGVLDHNDFC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 425329   
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 [44-164]


(Homo sapiens (Human))		BDBM425329
PNG
(US10519177, Compound P-0208)
Show SMILES Cc1noc(C)c1-c1cnc2c(cn(C(=O)C3CCC(F)(F)CC3)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C23H23F2N5O2/c1-13-20(14(2)32-28-13)16-8-19-21(26-9-16)18(17-10-27-29(3)11-17)12-30(19)22(31)15-4-6-23(24,25)7-5-15/h8-12,15H,4-7H2,1-3H3
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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent


Assay Description
Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between b...

US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair