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SMILES: COc1c(OC[C@H](O)CN2CCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12

InChI Key: InChIKey=NVHWPVHMNJBTPS-MRXNPFEDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139741   
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))		BDBM139741
PNG
(US8895549, 7)
Show SMILES COc1c(OC[C@H](O)CN2CCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:33,t:17|
Show InChI InChI=1S/C23H26N6O4/c1-32-20-18(33-14-16(30)13-28-9-3-10-28)6-5-17-19(20)26-23(29-11-8-25-21(17)29)27-22(31)15-4-2-7-24-12-15/h2,4-7,12,16,30H,3,8-11,13-14H2,1H3,(H,26,27,31)/t16-/m1/s1
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Similars
US Patent
n/an/a 2.22n/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