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SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCCC2)c2ncnc(C)c2c1

InChI Key: InChIKey=DFNYCHSSWGMVBA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50505305   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50505305
PNG
(CHEMBL4452913)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCCC2)c2ncnc(C)c2c1
Show InChI InChI=1S/C26H24F2N4O4S/c1-15-20-9-16(11-23(25(20)31-14-30-15)36-19-5-3-4-6-19)17-10-22(26(35-2)29-13-17)32-37(33,34)24-8-7-18(27)12-21(24)28/h7-14,19,32H,3-6H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ...

J Med Chem 62: 8873-8879 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00969
More data for this
Ligand-Target Pair