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SMILES: C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1

InChI Key: InChIKey=GRRFNJXQNRYVNT-SCLBCKFNSA-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 = 346175   
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))
BDBM346175
PNG
(US10202371, Example 5)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/m0/s1
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n/an/a 23n/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))
BDBM346175
PNG
(US10202371, Example 5)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/m0/s1
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n/an/a 31n/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))
BDBM346175
PNG
(US10202371, Example 5)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/m0/s1
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n/an/a 147n/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))
BDBM346175
PNG
(US10202371, Example 5)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/m0/s1
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UniChem
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n/an/a 119n/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))
BDBM346175
PNG
(US10202371, Example 5)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/m0/s1
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n/an/a 2.25E+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))
BDBM346175
PNG
(US10202371, Example 5)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/m0/s1
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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 434n/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))
BDBM346175
PNG
(US10202371, Example 5)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/m0/s1
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PC cid
PC sid
UniChem
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n/an/a 201n/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))
BDBM346175
PNG
(US10202371, Example 5)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13-18(14-5-3-2-4-6-14)36-22(34)33(13)17-11-16(29-21(30-17)32-7-9-35-10-8-32)15-12-28-20(27)31-19(15)23(24,25)26/h2-6,11-13,18H,7-10H2,1H3,(H2,27,28,31)/t13-,18+/m0/s1
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n/an/a 3.50E+3n/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