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PubMed code 23291120

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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PC cid
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PDB
Article
PubMed
n/an/a 1.61E+3n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha (unknown origin) by ADP-Glo assay


Eur J Med Chem 60: 187-98 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.004
BindingDB Entry DOI: 10.7270/Q2M61MM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50426932
PNG
(CHEMBL2324805)
Show SMILES COc1ccc2ccc(=O)oc2c1C1=NN(C(C1)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-22-13-7-17-8-14-23(29)33-25(17)24(22)20-15-21(16-5-3-2-4-6-16)28(27-20)34(30,31)19-11-9-18(26)10-12-19/h2-14,21H,15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.08E+4n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha (unknown origin) by ADP-Glo assay


Eur J Med Chem 60: 187-98 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.004
BindingDB Entry DOI: 10.7270/Q2M61MM5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%