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SMILES: Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F

InChI Key: InChIKey=DJQTZSHOXIMDKL-WMZOPIPTSA-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 8 hits for monomerid = 346180   
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))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
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n/an/a 9n/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)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
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n/an/a 5n/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)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
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UniChem
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n/an/a 22n/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)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
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n/an/a 1.01E+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)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Rattus norvegicus (Rat))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
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PC sid
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n/an/a 85n/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)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Rattus norvegicus (Rat))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
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PC cid
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n/an/a 23n/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)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
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n/an/a 343n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair