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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50316264'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316264
PNG
(CHEMBL1095933 | tert-Butyl 4-(6-(4-(3-Methylureido...)
Show SMILES CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC(C)(C)C)c2n1
Show InChI InChI=1S/C27H36N8O4/c1-27(2,3)39-26(37)34-11-9-20(10-12-34)35-24-21(17-29-35)23(33-13-15-38-16-14-33)31-22(32-24)18-5-7-19(8-6-18)30-25(36)28-4/h5-8,17,20H,9-16H2,1-4H3,(H2,28,30,36)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair