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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50332019'   
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))
BDBM50332019
PNG
(5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridi...)
Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(N)c1
Show InChI InChI=1S/C20H18N4O2/c1-25-18-4-3-12(7-19(18)26-2)17-11-24-20-16(17)6-14(9-23-20)13-5-15(21)10-22-8-13/h3-11H,21H2,1-2H3,(H,23,24)
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Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 7212-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.108
BindingDB Entry DOI: 10.7270/Q2639QQ1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332019
PNG
(5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridi...)
Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(N)c1
Show InChI InChI=1S/C20H18N4O2/c1-25-18-4-3-12(7-19(18)26-2)17-11-24-20-16(17)6-14(9-23-20)13-5-15(21)10-22-8-13/h3-11H,21H2,1-2H3,(H,23,24)
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Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


J Med Chem 57: 6428-43 (2014)


Article DOI: 10.1021/jm500413g
BindingDB Entry DOI: 10.7270/Q2QR4ZS4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50332019
PNG
(5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridi...)
Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(N)c1
Show InChI InChI=1S/C20H18N4O2/c1-25-18-4-3-12(7-19(18)26-2)17-11-24-20-16(17)6-14(9-23-20)13-5-15(21)10-22-8-13/h3-11H,21H2,1-2H3,(H,23,24)
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KEGG

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UniChem

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Article
PubMed
n/an/an/a 960n/an/an/an/an/a



Korea Advanced Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kalpha by high throughput assay


J Med Chem 55: 5337-49 (2012)


Article DOI: 10.1021/jm3002982
BindingDB Entry DOI: 10.7270/Q2JM2BQ3
More data for this
Ligand-Target Pair