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SMILES: C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1

InChI Key:

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 8 hits for monomerid = 50557968   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50557968
PNG
(CHEMBL4754382)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
PDB

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antibodypedia
antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 2.72E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110alpha/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01651
BindingDB Entry DOI: 10.7270/Q2QC076H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50557968
PNG
(CHEMBL4754382)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 2.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110beta/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells u...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01651
BindingDB Entry DOI: 10.7270/Q2QC076H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50557968
PNG
(CHEMBL4754382)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110delta/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01651
BindingDB Entry DOI: 10.7270/Q2QC076H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50557968
PNG
(CHEMBL4754382)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3kdelta in anti-IgD-induced human whole blood cells assessed as reduction in Akt phosphorylation at ser 473 residue pretreated with c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01651
BindingDB Entry DOI: 10.7270/Q2QC076H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50557968
PNG
(CHEMBL4754382)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
PDB
MMDB

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PC sid
UniChem
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in antiIgM/CD40L-induced human B cells assessed as reduction in cell viability preincubated for 30 mins followed by antiIgM/C...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01651
BindingDB Entry DOI: 10.7270/Q2QC076H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM50557968
PNG
(CHEMBL4754382)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in Balb/c mouse B cells assessed as inhibition of antiIgM-induced Akt phosphorylation at ser 473 residue preincubated for 45 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01651
BindingDB Entry DOI: 10.7270/Q2QC076H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50557968
PNG
(CHEMBL4754382)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3kdelta in anti-IgD-induced human whole blood cells assessed as reduction in CD69 expression measured after 6 hrs by immunostaining b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01651
BindingDB Entry DOI: 10.7270/Q2QC076H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50557968
PNG
(CHEMBL4754382)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal polyHis-tagged PI3Kgamma (114 to 1102 residues) (unknown origin) expressed in baculovirus infected H...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01651
BindingDB Entry DOI: 10.7270/Q2QC076H
More data for this
Ligand-Target Pair