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SMILES: CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12

InChI Key: InChIKey=UPQKAJYEZWCPJY-HNNXBMFYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50262460   
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 gamma isoform


(Homo sapiens (Human))
BDBM50262460
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-di...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H25N3O2S/c1-22(2)10-18-20(19(26)11-22)28-21(24-18)25-7-8-27-13-15(25)9-14-12-23-17-6-4-3-5-16(14)17/h3-6,12,15,23H,7-11,13H2,1-2H3/t15-/m0/s1
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Article
PubMed
n/an/a 49n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50262460
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-di...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H25N3O2S/c1-22(2)10-18-20(19(26)11-22)28-21(24-18)25-7-8-27-13-15(25)9-14-12-23-17-6-4-3-5-16(14)17/h3-6,12,15,23H,7-11,13H2,1-2H3/t15-/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3K-mediated AKT Ser473 phosphorylation in PTEN negative human PC3 cells


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50262460
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-di...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H25N3O2S/c1-22(2)10-18-20(19(26)11-22)28-21(24-18)25-7-8-27-13-15(25)9-14-12-23-17-6-4-3-5-16(14)17/h3-6,12,15,23H,7-11,13H2,1-2H3/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50262460
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-di...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H25N3O2S/c1-22(2)10-18-20(19(26)11-22)28-21(24-18)25-7-8-27-13-15(25)9-14-12-23-17-6-4-3-5-16(14)17/h3-6,12,15,23H,7-11,13H2,1-2H3/t15-/m0/s1
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PubMed
n/an/a 1.16E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50262460
PNG
((S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-di...)
Show SMILES CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H25N3O2S/c1-22(2)10-18-20(19(26)11-22)28-21(24-18)25-7-8-27-13-15(25)9-14-12-23-17-6-4-3-5-16(14)17/h3-6,12,15,23H,7-11,13H2,1-2H3/t15-/m0/s1
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PubMed
n/an/a 51n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Bioorg Med Chem Lett 18: 4316-20 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.076
BindingDB Entry DOI: 10.7270/Q270818T
More data for this
Ligand-Target Pair