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BDBM50178294 CHEMBL3814340

SMILES: CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12

InChI Key: InChIKey=JPZHGBZYRNZXPJ-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50178294   
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 alpha isoform


(Homo sapiens (Human))
BDBM50178294
PNG
(CHEMBL3814340)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin)


Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50178294
PNG
(CHEMBL3814340)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin)


Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178294
PNG
(CHEMBL3814340)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PDK1 in human PC3 cells assessed as reduction in AKT Thr308 phosphorylation after 45 mins


Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50178294
PNG
(CHEMBL3814340)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin)


Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178294
PNG
(CHEMBL3814340)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50178294
PNG
(CHEMBL3814340)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)
PDB
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PC cid
PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin)


Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair