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BDBM340426 US9758538, Example 114

SMILES: COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOC[C@@H]1C

InChI Key: InChIKey=GXULWTJIEPWMSY-YUNKPMOVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 340426   
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
PI3-kinase class I


(Homo sapiens (Human))		BDBM340426
PNG
(US9758538, Example 114)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C20H27FN8O4/c1-12-9-33-6-5-29(12)18-25-15(13-7-23-17(22)24-8-13)14(21)16(26-18)27-20(11-30)3-4-28(10-20)19(31)32-2/h7-8,12,30H,3-6,9-11H2,1-2H3,(H2,22,23,24)(H,25,26,27)/t12-,20-/m0/s1
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US Patent
<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The biochemical assays of kinase activity of full-length PI3Kα (full-length p110α/p85α) or truncated PI3Kα (p110α/iSH2 p85&#...

US Patent US9758538 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X70
More data for this
Ligand-Target Pair