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SMILES: Cc1noc(C)c1-c1cnc2ccn(C(CC#N)C3CCCC3)c2c1

InChI Key: InChIKey=XRPUCMONKZLSJU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 425317   
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))		BDBM425317
PNG
(3-cyclopentyl-3-[6-(3,5- dimethylisoxazol-4- yl)py...)
Show SMILES Cc1noc(C)c1-c1cnc2ccn(C(CC#N)C3CCCC3)c2c1
Show InChI InChI=1S/C20H22N4O/c1-13-20(14(2)25-23-13)16-11-19-17(22-12-16)8-10-24(19)18(7-9-21)15-5-3-4-6-15/h8,10-12,15,18H,3-7H2,1-2H3
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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