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BDBM50107255 CHEMBL3600783

SMILES: C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1

InChI Key: InChIKey=WTFBXXYMHMHBJI-GGYSOQFKNA-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 = 50107255   
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 beta isoform


(Homo sapiens (Human))
BDBM50107255
PNG
(CHEMBL3600783)
Show SMILES C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
Show InChI InChI=1/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/s2
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n/an/a<2.00E+5n/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 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50107255
PNG
(CHEMBL3600783)
Show SMILES C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
Show InChI InChI=1/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/s2
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n/an/a<2.00E+5n/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))
BDBM50107255
PNG
(CHEMBL3600783)
Show SMILES C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
Show InChI InChI=1/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/s2
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n/an/a<2.00E+5n/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 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50107255
PNG
(CHEMBL3600783)
Show SMILES C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
Show InChI InChI=1/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/s2
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n/an/a<2.00E+5n/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
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50107255
PNG
(CHEMBL3600783)
Show SMILES C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
Show InChI InChI=1/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/s2
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n/an/a 2.51E+3n/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))
BDBM50107255
PNG
(CHEMBL3600783)
Show SMILES C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
Show InChI InChI=1/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/s2
PDB

UniProtKB/SwissProt

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PC sid
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n/an/a 40n/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-phosphate 5-kinase type-1 gamma


(Homo sapiens (Human))
BDBM50107255
PNG
(CHEMBL3600783)
Show SMILES C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
Show InChI InChI=1/C23H27N3O2S/c1-15(17-7-10-28-11-8-17)24-23-25-20-5-4-18(12-21(20)29-23)19-6-9-26(22(27)13-19)14-16-2-3-16/h4-6,9,12-13,15-17H,2-3,7-8,10-11,14H2,1H3,(H,24,25)/t15-/s2
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 2.51E+4n/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