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BDBM50094477 CHEMBL3590223

SMILES: CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12

InChI Key: InChIKey=DYSXVZYXONDGJF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50094477   
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))
BDBM50094477
PNG
(CHEMBL3590223)
Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24)
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n/an/a 280n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ...


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50094477
PNG
(CHEMBL3590223)
Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50094477
PNG
(CHEMBL3590223)
Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50094477
PNG
(CHEMBL3590223)
Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24)
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n/an/a 2.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b...


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50094477
PNG
(CHEMBL3590223)
Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H27N11O/c1-30(2)13-18(34)32-10-8-14(9-11-32)21-26-20(28-31(21)3)16-12-24-19(23)22(25-16)33-17-7-5-4-6-15(17)27-29-33/h4-7,12,14H,8-11,13H2,1-3H3,(H2,23,24)
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair