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BDBM113541 US8633204, 274

SMILES: CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1

InChI Key: InChIKey=IRUDZRRJNDDVLC-SHTZXODSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113541   
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))		BDBM113541
PNG
(US8633204, 274)
Show SMILES CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.20,wD:23.24,(-7.34,1.16,;-6,.39,;-4.67,1.16,;-4.67,2.7,;-3.33,3.47,;-3.33,5.01,;-2,2.7,;-.67,3.47,;.67,2.7,;2,3.47,;2,5.01,;3.33,5.78,;4.67,5.01,;6,5.78,;7.34,5.01,;4.67,3.47,;3.33,2.7,;.67,1.16,;2,.39,;-.67,.39,;-.67,-1.16,;.67,-1.93,;.67,-3.47,;-.67,-4.24,;-.67,-5.78,;-2,-3.47,;-2,-1.93,;-2,1.16,;-3.33,.39,)|
Show InChI InChI=1S/C21H25N5O3/c1-12-16-10-17(13-4-9-18(29-3)23-11-13)20(28)26(14-5-7-15(27)8-6-14)19(16)25-21(22-2)24-12/h4,9-11,14-15,27H,5-8H2,1-3H3,(H,22,24,25)/t14-,15-
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Similars
US Patent
n/an/a 1.80n/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