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BDBM50107269 CHEMBL3600694

SMILES: Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1

InChI Key: InChIKey=VFAOZGIUZWPHKS-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50107269   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50107269
PNG
(CHEMBL3600694)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
Show InChI InChI=1S/C14H13N3O2S/c15-14-17-11-3-1-9(7-12(11)20-14)10-2-4-13(16-8-10)19-6-5-18/h1-4,7-8,18H,5-6H2,(H2,15,17)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plu...


Bioorg Med Chem Lett 25: 3189-93 (2015)


BindingDB Entry DOI: 10.7270/Q2KK9DKR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50107269
PNG
(CHEMBL3600694)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
Show InChI InChI=1S/C14H13N3O2S/c15-14-17-11-3-1-9(7-12(11)20-14)10-2-4-13(16-8-10)19-6-5-18/h1-4,7-8,18H,5-6H2,(H2,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plu...


Bioorg Med Chem Lett 25: 3189-93 (2015)


BindingDB Entry DOI: 10.7270/Q2KK9DKR
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma


(Homo sapiens (Human))
BDBM50107269
PNG
(CHEMBL3600694)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
Show InChI InChI=1S/C14H13N3O2S/c15-14-17-11-3-1-9(7-12(11)20-14)10-2-4-13(16-8-10)19-6-5-18/h1-4,7-8,18H,5-6H2,(H2,15,17)
Reactome pathway
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antibodypedia
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PC sid
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n/an/a<1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PIP5K1C (unknown origin) using D-myo-phosphatidylinositol 4-phosphate substrate and ATP by ADP-Glo kinase Assay


Bioorg Med Chem Lett 25: 3189-93 (2015)


BindingDB Entry DOI: 10.7270/Q2KK9DKR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50107269
PNG
(CHEMBL3600694)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
Show InChI InChI=1S/C14H13N3O2S/c15-14-17-11-3-1-9(7-12(11)20-14)10-2-4-13(16-8-10)19-6-5-18/h1-4,7-8,18H,5-6H2,(H2,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plus...


Bioorg Med Chem Lett 25: 3189-93 (2015)


BindingDB Entry DOI: 10.7270/Q2KK9DKR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50107269
PNG
(CHEMBL3600694)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
Show InChI InChI=1S/C14H13N3O2S/c15-14-17-11-3-1-9(7-12(11)20-14)10-2-4-13(16-8-10)19-6-5-18/h1-4,7-8,18H,5-6H2,(H2,15,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human full length recombinant PI4K3beta expressed in Sf9 cells using D-myo-phosphatidylinositol substrate and ATP...


Bioorg Med Chem Lett 25: 3189-93 (2015)


BindingDB Entry DOI: 10.7270/Q2KK9DKR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50107269
PNG
(CHEMBL3600694)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
Show InChI InChI=1S/C14H13N3O2S/c15-14-17-11-3-1-9(7-12(11)20-14)10-2-4-13(16-8-10)19-6-5-18/h1-4,7-8,18H,5-6H2,(H2,15,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...


Bioorg Med Chem Lett 25: 3189-93 (2015)


BindingDB Entry DOI: 10.7270/Q2KK9DKR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50107269
PNG
(CHEMBL3600694)
Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
Show InChI InChI=1S/C14H13N3O2S/c15-14-17-11-3-1-9(7-12(11)20-14)10-2-4-13(16-8-10)19-6-5-18/h1-4,7-8,18H,5-6H2,(H2,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plu...


Bioorg Med Chem Lett 25: 3189-93 (2015)


BindingDB Entry DOI: 10.7270/Q2KK9DKR
More data for this
Ligand-Target Pair