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SMILES: COCC1OC(=O)C([CH-]N(C)c2ccncc2)=C2C(=[OH+])C(=O)C3=C(C(CC4(C)C3CCC4=O)OC(=O)CCCCN(C)c3ccc([N+]([O-])=O)c4nonc34)C12C

InChI Key: InChIKey=WBDWSUNTIOZVBY-UHFFFAOYSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50262094   
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))		BDBM50262094
PNG
(11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-1-((me...)
Show SMILES COCC1OC(=O)C([CH-]N(C)c2ccncc2)=C2C(=[OH+])C(=O)C3=C(C(CC4(C)C3CCC4=O)OC(=O)CCCCN(C)c3ccc([N+]([O-])=O)c4nonc34)C12C |t:17,23|
Show InChI InChI=1S/C39H41N6O11/c1-38-18-26(54-29(47)8-6-7-17-43(3)24-10-11-25(45(51)52)34-33(24)41-56-42-34)32-30(23(38)9-12-27(38)46)35(48)36(49)31-22(19-44(4)21-13-15-40-16-14-21)37(50)55-28(20-53-5)39(31,32)2/h10-11,13-16,19,23,26,28H,6-9,12,17-18,20H2,1-5H3/q-1/p+1
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n/an/a 262n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay

J Med Chem 51: 4699-707 (2008)


Article DOI: 10.1021/jm800374f
BindingDB Entry DOI: 10.7270/Q22B8XV3
More data for this
Ligand-Target Pair