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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform' and Ligand = 'BDBM50189766'   
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))
BDBM50189766
PNG
(5-((5-(2-hydroxy-5-nitrophenyl)furan-2-yl)methylen...)
Show SMILES Oc1ccc(cc1-c1ccc(\C=C2/SC(=S)NC2=O)o1)[N+]([O-])=O
Show InChI InChI=1S/C14H8N2O5S2/c17-10-3-1-7(16(19)20)5-9(10)11-4-2-8(21-11)6-12-13(18)15-14(22)23-12/h1-6,17H,(H,15,18,22)/b12-6-
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189766
PNG
(5-((5-(2-hydroxy-5-nitrophenyl)furan-2-yl)methylen...)
Show SMILES Oc1ccc(cc1-c1ccc(\C=C2/SC(=S)NC2=O)o1)[N+]([O-])=O
Show InChI InChI=1S/C14H8N2O5S2/c17-10-3-1-7(16(19)20)5-9(10)11-4-2-8(21-11)6-12-13(18)15-14(22)23-12/h1-6,17H,(H,15,18,22)/b12-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



The University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate


Eur J Med Chem 84: 454-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.056
BindingDB Entry DOI: 10.7270/Q2057HM8
More data for this
Ligand-Target Pair