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BDBM113543 US8633204, 277

SMILES: CCNc1nc(C)c2cc(-c3cnc(OC)nc3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1

InChI Key: InChIKey=QPIXMJZVIJYFKU-SHTZXODSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113543   
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 alpha isoform


(Homo sapiens (Human))		BDBM113543
PNG
(US8633204, 277)
Show SMILES CCNc1nc(C)c2cc(-c3cnc(OC)nc3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.21,wD:24.25,(-7.96,1.08,;-6.47,1.47,;-5.38,.39,;-4.05,1.15,;-4.05,2.69,;-2.71,3.46,;-2.71,5,;-1.38,2.69,;-.05,3.46,;1.29,2.69,;2.62,3.46,;2.62,5,;3.96,5.77,;5.29,5,;6.62,5.77,;7.96,5,;5.29,3.46,;3.96,2.69,;1.29,1.15,;2.62,.39,;-.05,.39,;-.05,-1.15,;1.29,-1.92,;1.29,-3.46,;-.05,-4.23,;-.05,-5.77,;-1.38,-3.46,;-1.38,-1.92,;-1.38,1.15,;-2.71,.39,)|
Show InChI InChI=1S/C21H26N6O3/c1-4-22-20-25-12(2)16-9-17(13-10-23-21(30-3)24-11-13)19(29)27(18(16)26-20)14-5-7-15(28)8-6-14/h9-11,14-15,28H,4-8H2,1-3H3,(H,22,25,26)/t14-,15-
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Similars
US Patent
n/an/a 1.59n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...

US Patent US8633204 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BQT
More data for this
Ligand-Target Pair