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

InChI Key: InChIKey=MKACDVXIBUMWSG-UHFFFAOYSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50262043   
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))		BDBM50262043
PNG
(6-((11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-5-...)
Show SMILES COCC1OC(=O)C([CH-]NCCCCCC(O)=O)=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/C39H46N5O13/c1-38-18-25(55-29(48)11-7-9-17-43(3)23-13-14-24(44(52)53)34-33(23)41-57-42-34)32-30(22(38)12-15-26(38)45)35(49)36(50)31-21(19-40-16-8-5-6-10-28(46)47)37(51)56-27(20-54-4)39(31,32)2/h13-14,19,22,25,27,40H,5-12,15-18,20H2,1-4H3,(H,46,47)/q-1/p+1
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Article
PubMed
n/an/a>1.00E+4n/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