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SMILES: CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCCN2)s1

InChI Key: InChIKey=SSALYFTWJFAWDV-UHFFFAOYSA-N

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 = 50433548   
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))
BDBM50433548
PNG
(CHEMBL2381267)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCCN2)s1
Show InChI InChI=1S/C20H23N5OS/c1-12(2)25-19(22-11-23-25)20-24-18-14-6-5-13(15-4-3-8-21-15)10-16(14)26-9-7-17(18)27-20/h5-6,10-12,15,21H,3-4,7-9H2,1-2H3
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Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.102
BindingDB Entry DOI: 10.7270/Q2W95BKF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50433548
PNG
(CHEMBL2381267)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCCN2)s1
Show InChI InChI=1S/C20H23N5OS/c1-12(2)25-19(22-11-23-25)20-24-18-14-6-5-13(15-4-3-8-21-15)10-16(14)26-9-7-17(18)27-20/h5-6,10-12,15,21H,3-4,7-9H2,1-2H3
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Article
PubMed
n/an/a 174n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells assessed as inhibition of AKT phosphorylation at Ser473 after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 2606-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.102
BindingDB Entry DOI: 10.7270/Q2W95BKF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50433548
PNG
(CHEMBL2381267)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCCN2)s1
Show InChI InChI=1S/C20H23N5OS/c1-12(2)25-19(22-11-23-25)20-24-18-14-6-5-13(15-4-3-8-21-15)10-16(14)26-9-7-17(18)27-20/h5-6,10-12,15,21H,3-4,7-9H2,1-2H3
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Article
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n/an/a 3.30n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kdelta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.102
BindingDB Entry DOI: 10.7270/Q2W95BKF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50433548
PNG
(CHEMBL2381267)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCCN2)s1
Show InChI InChI=1S/C20H23N5OS/c1-12(2)25-19(22-11-23-25)20-24-18-14-6-5-13(15-4-3-8-21-15)10-16(14)26-9-7-17(18)27-20/h5-6,10-12,15,21H,3-4,7-9H2,1-2H3
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Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kgamma expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.102
BindingDB Entry DOI: 10.7270/Q2W95BKF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50433548
PNG
(CHEMBL2381267)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCCN2)s1
Show InChI InChI=1S/C20H23N5OS/c1-12(2)25-19(22-11-23-25)20-24-18-14-6-5-13(15-4-3-8-21-15)10-16(14)26-9-7-17(18)27-20/h5-6,10-12,15,21H,3-4,7-9H2,1-2H3
PDB
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kbeta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presenc...


Bioorg Med Chem Lett 23: 2606-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.102
BindingDB Entry DOI: 10.7270/Q2W95BKF
More data for this
Ligand-Target Pair