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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 gamma isoform' and Ligand = 'BDBM50044287'   
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 gamma isoform


(Homo sapiens (Human))
BDBM50044287
PNG
(CHEMBL3356900)
Show SMILES CCCn1cnc(CCNC(=O)Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)c1
Show InChI InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)
PDB
MMDB

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PC cid
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Article
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2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)