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SMILES: CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1

InChI Key: InChIKey=OZIKWNBSDOTXBX-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 = 50449291   
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 beta isoform


(Homo sapiens (Human))
BDBM50449291
PNG
(CHEMBL3125375)
Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21FN4O3S/c1-11-8-12-9-13(20)2-3-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-4-6-27-7-5-23/h2-3,9,11H,4-8,10H2,1H3,(H2,21,26)
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Article
PubMed
n/an/a 14n/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 gamma isoform


(Homo sapiens (Human))
BDBM50449291
PNG
(CHEMBL3125375)
Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21FN4O3S/c1-11-8-12-9-13(20)2-3-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-4-6-27-7-5-23/h2-3,9,11H,4-8,10H2,1H3,(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 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))
BDBM50449291
PNG
(CHEMBL3125375)
Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21FN4O3S/c1-11-8-12-9-13(20)2-3-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-4-6-27-7-5-23/h2-3,9,11H,4-8,10H2,1H3,(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))
BDBM50449291
PNG
(CHEMBL3125375)
Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21FN4O3S/c1-11-8-12-9-13(20)2-3-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-4-6-27-7-5-23/h2-3,9,11H,4-8,10H2,1H3,(H2,21,26)
PDB
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Article
PubMed
n/an/a 20n/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 delta isoform


(Homo sapiens (Human))
BDBM50449291
PNG
(CHEMBL3125375)
Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1
Show InChI InChI=1S/C19H21FN4O3S/c1-11-8-12-9-13(20)2-3-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-4-6-27-7-5-23/h2-3,9,11H,4-8,10H2,1H3,(H2,21,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 127n/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