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BDBM346171 (4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′-trifluoromethyl-[4,5′]bipyrimidinyl-6-yl)-4-methyl-5-thiazol-2-yl-oxazolidin-2-one::US10202371, Example 1

SMILES: C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1

InChI Key: InChIKey=ONCWHTARVIIEDJ-IINYFYTJSA-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 = 346171   
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))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1
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n/an/a 6n/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))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/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)

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


(Homo sapiens (Human))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1
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n/an/a 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))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1
PDB

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11.3n/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))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1
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n/an/a 251n/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))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1
PDB

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)

More data for this
Ligand-Target Pair