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BDBM50449293 CHEMBL3125394

SMILES: CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1

InChI Key: InChIKey=TVZPBIBWLNLUKK-UHFFFAOYSA-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 = 50449293   
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))
BDBM50449293
PNG
(CHEMBL3125394)
Show SMILES CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma after 15 mins


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50449293
PNG
(CHEMBL3125394)
Show SMILES CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha after 15 mins


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50449293
PNG
(CHEMBL3125394)
Show SMILES CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta after 15 mins


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50449293
PNG
(CHEMBL3125394)
Show SMILES CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)
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PubMed
n/an/a 13n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50449293
PNG
(CHEMBL3125394)
Show SMILES CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta after 15 mins


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair