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SMILES: COc1c(OC[C@H](O)CN2CCCC2)ccc2C3=NCCN3C(NC(=O)c3cncs3)=Nc12

InChI Key: InChIKey=ALDFETBZGBGHGB-CQSZACIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139747   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM139747
PNG
(US8895549, 36)
Show SMILES COc1c(OC[C@H](O)CN2CCCC2)ccc2C3=NCCN3C(NC(=O)c3cncs3)=Nc12 |r,c:33,t:18|
Show InChI InChI=1S/C22H26N6O4S/c1-31-19-16(32-12-14(29)11-27-7-2-3-8-27)5-4-15-18(19)25-22(28-9-6-24-20(15)28)26-21(30)17-10-23-13-33-17/h4-5,10,13-14,29H,2-3,6-9,11-12H2,1H3,(H,25,26,30)/t14-/m1/s1
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Similars
US Patent
n/an/a 3.41n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
As reagents for the kinase reaction itself and the quantification of the reaction product, the PI3-Kinase HTRF Assay kit from Millipore (#33-017) was...

US Patent US8895549 (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZWF
More data for this
Ligand-Target Pair