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BDBM346172 (4S*,5S*)-3-(2′-amino-2-morpholino-4′-(trifluoromethyl)-[4,5′-bipyrimidin]-6-yl)-4-ethyl-5-(4-methoxyphenyl)oxazolidin-2-one::US10202371, Example 2

SMILES: CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1

InChI Key: InChIKey=HFELRNZIXKMMLK-ICSRJNTNSA-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 = 346172   
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))
BDBM346172
PNG
((4S*,5S*)-3-(2′-amino-2-morpholino-4′-...)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
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n/an/a 78n/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))
BDBM346172
PNG
((4S*,5S*)-3-(2′-amino-2-morpholino-4′-...)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
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n/an/a 96n/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))
BDBM346172
PNG
((4S*,5S*)-3-(2′-amino-2-morpholino-4′-...)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
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n/an/a 27n/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))
BDBM346172
PNG
((4S*,5S*)-3-(2′-amino-2-morpholino-4′-...)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 105n/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))
BDBM346172
PNG
((4S*,5S*)-3-(2′-amino-2-morpholino-4′-...)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
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n/an/a 2.80E+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))
BDBM346172
PNG
((4S*,5S*)-3-(2′-amino-2-morpholino-4′-...)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
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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
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))
BDBM346172
PNG
((4S*,5S*)-3-(2′-amino-2-morpholino-4′-...)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
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PC cid
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UniChem
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n/an/a 751n/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))
BDBM346172
PNG
((4S*,5S*)-3-(2′-amino-2-morpholino-4′-...)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)

More data for this
Ligand-Target Pair