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BDBM346188 WO2007/084786, Compound 324

SMILES: Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F

InChI Key: InChIKey=FTJSUUKIIAHLQX-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 346188   
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/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM346188
PNG
(WO2007/084786, Compound 324)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 327n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...


US Patent US10202371 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM346188
PNG
(WO2007/084786, Compound 324)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.07E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...


US Patent US10202371 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM346188
PNG
(WO2007/084786, Compound 324)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.22E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM346188
PNG
(WO2007/084786, Compound 324)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.54E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...


US Patent US10202371 (2019)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM346188
PNG
(WO2007/084786, Compound 324)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>9.55E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
TR-FRET assays for protein kinases uses a long-lifetime lanthanide Terbium or Europium chelates as the donor species which overcome interference by c...


US Patent US10202371 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Rattus norvegicus (Rat))
BDBM346188
PNG
(WO2007/084786, Compound 324)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.73E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...


US Patent US10202371 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Rattus norvegicus (Rat))
BDBM346188
PNG
(WO2007/084786, Compound 324)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.31E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...


US Patent US10202371 (2019)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM346188
PNG
(WO2007/084786, Compound 324)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCC(=O)CC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O2/c19-18(20,21)15-12(10-23-16(22)26-15)13-9-14(27-3-1-11(29)2-4-27)25-17(24-13)28-5-7-30-8-6-28/h9-10H,1-8H2,(H2,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.46E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)

More data for this
Ligand-Target Pair