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BDBM50043007 CHEMBL3355013

SMILES: Cn1cnc2c(nc(N)nc12)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=HUIJSDZQXOAFHD-AGDOHHJYNA-N

Data: 6 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 6 hits for monomerid = 50043007   
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/gamma isoform


(Homo sapiens (Human))
BDBM50043007
PNG
(CHEMBL3355013)
Show SMILES Cn1cnc2c(nc(N)nc12)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C24H21ClN8O/c1-31-13-27-19-21(31)29-24(26)30-22(19)32-12-6-11-17(32)20-28-16-10-5-9-15(25)18(16)23(34)33(20)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H2,26,29,30)/t17-/s2
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PC sid
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n/an/a 52n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) by TR-FRET assay


ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50043007
PNG
(CHEMBL3355013)
Show SMILES Cn1cnc2c(nc(N)nc12)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C24H21ClN8O/c1-31-13-27-19-21(31)29-24(26)30-22(19)32-12-6-11-17(32)20-28-16-10-5-9-15(25)18(16)23(34)33(20)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H2,26,29,30)/t17-/s2
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PC sid
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n/an/a 305n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) by TR-FRET assay


ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50043007
PNG
(CHEMBL3355013)
Show SMILES Cn1cnc2c(nc(N)nc12)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C24H21ClN8O/c1-31-13-27-19-21(31)29-24(26)30-22(19)32-12-6-11-17(32)20-28-16-10-5-9-15(25)18(16)23(34)33(20)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H2,26,29,30)/t17-/s2
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n/an/a 3.70E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) by TR-FRET assay


ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50043007
PNG
(CHEMBL3355013)
Show SMILES Cn1cnc2c(nc(N)nc12)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C24H21ClN8O/c1-31-13-27-19-21(31)29-24(26)30-22(19)32-12-6-11-17(32)20-28-16-10-5-9-15(25)18(16)23(34)33(20)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H2,26,29,30)/t17-/s2
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n/an/a 52n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as PI3Kalpha-mediated Akt1/2 (S473) phosphorylation rate by cellular assay


ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50043007
PNG
(CHEMBL3355013)
Show SMILES Cn1cnc2c(nc(N)nc12)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C24H21ClN8O/c1-31-13-27-19-21(31)29-24(26)30-22(19)32-12-6-11-17(32)20-28-16-10-5-9-15(25)18(16)23(34)33(20)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H2,26,29,30)/t17-/s2
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PC sid
UniChem
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n/an/a 305n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) assessed as PI3Kalpha-mediated Akt1/2 (S473) phosphorylation rate by cellular assay


ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50043007
PNG
(CHEMBL3355013)
Show SMILES Cn1cnc2c(nc(N)nc12)N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C24H21ClN8O/c1-31-13-27-19-21(31)29-24(26)30-22(19)32-12-6-11-17(32)20-28-16-10-5-9-15(25)18(16)23(34)33(20)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H2,26,29,30)/t17-/s2
PDB
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as PI3Kalpha-mediated Akt1/2 (S473) phosphorylation rate by cellular assay


ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair