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BDBM50420315 CHEMBL2089106

SMILES: Cc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1

InChI Key: InChIKey=REVHYTKYLAMCJQ-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 = 50420315   
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))
BDBM50420315
PNG
(CHEMBL2089106)
Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C19H19F3N4O2S/c1-11-13(4-3-5-14(11)19(20,21)22)10-26-12(2)23-17(27)15-16(26)24-18(29-15)25-6-8-28-9-7-25/h3-5H,6-10H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
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n/an/an/an/a 24n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta in human PTEN-deficient MDA-MB-468 cells assessed as inhibition of Akt Ser473 phosphorylation


ACS Med Chem Lett 3: 524-529 (2012)


Article DOI: 10.1021/ml300045b
BindingDB Entry DOI: 10.7270/Q2J967PT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50420315
PNG
(CHEMBL2089106)
Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C19H19F3N4O2S/c1-11-13(4-3-5-14(11)19(20,21)22)10-26-12(2)23-17(27)15-16(26)24-18(29-15)25-6-8-28-9-7-25/h3-5H,6-10H2,1-2H3
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma by continuous TR-FRET assay


ACS Med Chem Lett 3: 524-529 (2012)


Article DOI: 10.1021/ml300045b
BindingDB Entry DOI: 10.7270/Q2J967PT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50420315
PNG
(CHEMBL2089106)
Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C19H19F3N4O2S/c1-11-13(4-3-5-14(11)19(20,21)22)10-26-12(2)23-17(27)15-16(26)24-18(29-15)25-6-8-28-9-7-25/h3-5H,6-10H2,1-2H3
PDB
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha by continuous TR-FRET assay


ACS Med Chem Lett 3: 524-529 (2012)


Article DOI: 10.1021/ml300045b
BindingDB Entry DOI: 10.7270/Q2J967PT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50420315
PNG
(CHEMBL2089106)
Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C19H19F3N4O2S/c1-11-13(4-3-5-14(11)19(20,21)22)10-26-12(2)23-17(27)15-16(26)24-18(29-15)25-6-8-28-9-7-25/h3-5H,6-10H2,1-2H3
PDB
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta by continuous TR-FRET assay


ACS Med Chem Lett 3: 524-529 (2012)


Article DOI: 10.1021/ml300045b
BindingDB Entry DOI: 10.7270/Q2J967PT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50420315
PNG
(CHEMBL2089106)
Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C19H19F3N4O2S/c1-11-13(4-3-5-14(11)19(20,21)22)10-26-12(2)23-17(27)15-16(26)24-18(29-15)25-6-8-28-9-7-25/h3-5H,6-10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta by continuous TR-FRET assay


ACS Med Chem Lett 3: 524-529 (2012)


Article DOI: 10.1021/ml300045b
BindingDB Entry DOI: 10.7270/Q2J967PT
More data for this
Ligand-Target Pair