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BDBM377166 US10265307, Example 19-2::US10517858, Example 19 (Diastereoisomer 2)::US10828290, Example 19 (Diastereoisomer 1)

SMILES: C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1

InChI Key: InChIKey=JEGQLROZFGAUST-FNODVLLQSA-N

Data: 9 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 9 hits for monomerid = 377166   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
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PC sid
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n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
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PC sid
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n/an/a 550n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays—20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays—20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays—20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μcompound/DMSO in the assa...


US Patent US10828290 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377166
PNG
(US10265307, Example 19-2 | US10517858, Example 19 ...)
Show SMILES C[C@@]1(O)CCc2c1ncc(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)c2N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C24H26F2N6O2S/c1-24(34)8-7-13-19(32-9-3-4-12(27)11-32)16(10-29-20(13)24)30-22(33)18-21(28)35-23(31-18)17-14(25)5-2-6-15(17)26/h2,5-6,10,12,34H,3-4,7-9,11,27-28H2,1H3,(H,30,33)/t12-,24+/m0/s1
PDB
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair