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BDBM50064300 CHEMBL3403664

SMILES: C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O

InChI Key: InChIKey=HFVANGZKKLPTDI-ZDUSSCGKSA-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 = 50064300   
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 delta isoform


(Homo sapiens (Human))
BDBM50064300
PNG
(CHEMBL3403664)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1
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Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as inhibition of AKT phosphorylation by cell-based HTRF assay


Bioorg Med Chem Lett 25: 1104-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50064300
PNG
(CHEMBL3403664)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay


Bioorg Med Chem Lett 25: 1104-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50064300
PNG
(CHEMBL3403664)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay


Bioorg Med Chem Lett 25: 1104-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50064300
PNG
(CHEMBL3403664)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1
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PubMed
n/an/a 510n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay


Bioorg Med Chem Lett 25: 1104-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50064300
PNG
(CHEMBL3403664)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(c1-c1ccccc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H19FN6O2S/c1-13(29-23-17(11-25)22(26)27-12-28-23)20-19(14-6-4-3-5-7-14)21(33(2,31)32)16-10-15(24)8-9-18(16)30-20/h3-10,12-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1
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Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay


Bioorg Med Chem Lett 25: 1104-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.001
BindingDB Entry DOI: 10.7270/Q2H41T39
More data for this
Ligand-Target Pair