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SMILES: COc1c(OC[C@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3ccc(N)nc3C)=Nc12

InChI Key: InChIKey=LPJFOXYDWDFGRJ-MRXNPFEDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139756   
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))		BDBM139756
PNG
(US8895549, 23)
Show SMILES COc1c(OC[C@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3ccc(N)nc3C)=Nc12 |r,c:37,t:19|
Show InChI InChI=1S/C25H31N7O5/c1-15-17(4-6-20(26)28-15)24(34)30-25-29-21-18(23-27-7-8-32(23)25)3-5-19(22(21)35-2)37-14-16(33)13-31-9-11-36-12-10-31/h3-6,16,33H,7-14H2,1-2H3,(H2,26,28)(H,29,30,34)/t16-/m1/s1
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Similars
US Patent
n/an/a 7.30n/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