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BDBM346174 US10202371, Example 4

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

InChI Key: InChIKey=QPCPSPSSGSDMCQ-PKOBYXMFSA-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 = 346174   
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))
BDBM346174
PNG
(US10202371, Example 4)
Show SMILES CC[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H24F3N7O3/c1-2-17-19(14-6-4-3-5-7-14)37-23(35)34(17)18-12-16(30-22(31-18)33-8-10-36-11-9-33)15-13-29-21(28)32-20(15)24(25,26)27/h3-7,12-13,17,19H,2,8-11H2,1H3,(H2,28,29,32)/t17-,19+/m0/s1
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n/an/a 47n/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))
BDBM346174
PNG
(US10202371, Example 4)
Show SMILES CC[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H24F3N7O3/c1-2-17-19(14-6-4-3-5-7-14)37-23(35)34(17)18-12-16(30-22(31-18)33-8-10-36-11-9-33)15-13-29-21(28)32-20(15)24(25,26)27/h3-7,12-13,17,19H,2,8-11H2,1H3,(H2,28,29,32)/t17-,19+/m0/s1
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n/an/a 159n/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))
BDBM346174
PNG
(US10202371, Example 4)
Show SMILES CC[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H24F3N7O3/c1-2-17-19(14-6-4-3-5-7-14)37-23(35)34(17)18-12-16(30-22(31-18)33-8-10-36-11-9-33)15-13-29-21(28)32-20(15)24(25,26)27/h3-7,12-13,17,19H,2,8-11H2,1H3,(H2,28,29,32)/t17-,19+/m0/s1
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n/an/a 66n/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))
BDBM346174
PNG
(US10202371, Example 4)
Show SMILES CC[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H24F3N7O3/c1-2-17-19(14-6-4-3-5-7-14)37-23(35)34(17)18-12-16(30-22(31-18)33-8-10-36-11-9-33)15-13-29-21(28)32-20(15)24(25,26)27/h3-7,12-13,17,19H,2,8-11H2,1H3,(H2,28,29,32)/t17-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 298n/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))
BDBM346174
PNG
(US10202371, Example 4)
Show SMILES CC[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H24F3N7O3/c1-2-17-19(14-6-4-3-5-7-14)37-23(35)34(17)18-12-16(30-22(31-18)33-8-10-36-11-9-33)15-13-29-21(28)32-20(15)24(25,26)27/h3-7,12-13,17,19H,2,8-11H2,1H3,(H2,28,29,32)/t17-,19+/m0/s1
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n/an/a>9.70E+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))
BDBM346174
PNG
(US10202371, Example 4)
Show SMILES CC[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H24F3N7O3/c1-2-17-19(14-6-4-3-5-7-14)37-23(35)34(17)18-12-16(30-22(31-18)33-8-10-36-11-9-33)15-13-29-21(28)32-20(15)24(25,26)27/h3-7,12-13,17,19H,2,8-11H2,1H3,(H2,28,29,32)/t17-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 597n/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))
BDBM346174
PNG
(US10202371, Example 4)
Show SMILES CC[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H24F3N7O3/c1-2-17-19(14-6-4-3-5-7-14)37-23(35)34(17)18-12-16(30-22(31-18)33-8-10-36-11-9-33)15-13-29-21(28)32-20(15)24(25,26)27/h3-7,12-13,17,19H,2,8-11H2,1H3,(H2,28,29,32)/t17-,19+/m0/s1
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 757n/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))
BDBM346174
PNG
(US10202371, Example 4)
Show SMILES CC[C@H]1[C@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H24F3N7O3/c1-2-17-19(14-6-4-3-5-7-14)37-23(35)34(17)18-12-16(30-22(31-18)33-8-10-36-11-9-33)15-13-29-21(28)32-20(15)24(25,26)27/h3-7,12-13,17,19H,2,8-11H2,1H3,(H2,28,29,32)/t17-,19+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)

More data for this
Ligand-Target Pair