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SMILES: N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F

InChI Key: InChIKey=QLLAOUOYSHXDOH-STQMWFEESA-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 9 hits for monomerid = 377164   
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))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13-/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))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13-/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))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13-/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-1


(Homo sapiens (Human))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13-/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))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13-/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-3


(Homo sapiens (Human))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13-/m0/s1
KEGG

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antibodypedia
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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))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13-/m0/s1
PDB
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PC cid
PC sid
UniChem
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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))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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-2


(Homo sapiens (Human))
BDBM377164
PNG
(US10265307, Example 18-2 | US10517858, Example 18 ...)
Show SMILES N[C@H]1CCCN(C1)c1c2CC[C@@H](C#N)c2ncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C24H23F2N7OS/c25-15-4-1-5-16(26)18(15)24-32-20(22(29)35-24)23(34)31-17-10-30-19-12(9-27)6-7-14(19)21(17)33-8-2-3-13(28)11-33/h1,4-5,10,12-13H,2-3,6-8,11,28-29H2,(H,31,34)/t12-,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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