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SMILES: COc1c(OC[C@H](O)CN2CCCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3C)=Nc12

InChI Key: InChIKey=FNSTVZORTDRCQS-QGZVFWFLSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139745   
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))
BDBM139745
PNG
(US8895549, 18)
Show SMILES COc1c(OC[C@H](O)CN2CCCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3C)=Nc12 |r,c:35,t:18|
Show InChI InChI=1S/C25H30N6O4/c1-16-18(6-5-9-26-16)24(33)29-25-28-21-19(23-27-10-13-31(23)25)7-8-20(22(21)34-2)35-15-17(32)14-30-11-3-4-12-30/h5-9,17,32H,3-4,10-15H2,1-2H3,(H,28,29,33)/t17-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 3.90n/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