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SMILES: COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1

InChI Key: InChIKey=MYPHQRYNYWIFDG-ZCNNSNEGSA-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 = 376821   
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))
BDBM376821
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-12-19(14-20(32)13-18)22-10-11-33-17-26(22)35-30(37)23-8-9-25(31)24-15-21(16-34-29(23)24)36(2)27-6-4-5-7-28(27)38-3/h4-11,15-20H,12-14,32H2,1-3H3,(H,35,37)/t18-,19+,20-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a<10n/an/an/an/an/an/a



Montana State University



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 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q20G3NF8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM376821
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-12-19(14-20(32)13-18)22-10-11-33-17-26(22)35-30(37)23-8-9-25(31)24-15-21(16-34-29(23)24)36(2)27-6-4-5-7-28(27)38-3/h4-11,15-20H,12-14,32H2,1-3H3,(H,35,37)/t18-,19+,20-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Montana State University



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...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q20G3NF8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM376821
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-12-19(14-20(32)13-18)22-10-11-33-17-26(22)35-30(37)23-8-9-25(31)24-15-21(16-34-29(23)24)36(2)27-6-4-5-7-28(27)38-3/h4-11,15-20H,12-14,32H2,1-3H3,(H,35,37)/t18-,19+,20-/m0/s1
KEGG

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n/an/a<10n/an/an/an/an/an/a



Montana State University



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 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q20G3NF8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM376821
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-12-19(14-20(32)13-18)22-10-11-33-17-26(22)35-30(37)23-8-9-25(31)24-15-21(16-34-29(23)24)36(2)27-6-4-5-7-28(27)38-3/h4-11,15-20H,12-14,32H2,1-3H3,(H,35,37)/t18-,19+,20-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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 50: 641-62 (2007)


BindingDB Entry DOI: 10.7270/Q2MP55J7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM376821
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-12-19(14-20(32)13-18)22-10-11-33-17-26(22)35-30(37)23-8-9-25(31)24-15-21(16-34-29(23)24)36(2)27-6-4-5-7-28(27)38-3/h4-11,15-20H,12-14,32H2,1-3H3,(H,35,37)/t18-,19+,20-/m0/s1
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n/an/a<10n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM376821
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-12-19(14-20(32)13-18)22-10-11-33-17-26(22)35-30(37)23-8-9-25(31)24-15-21(16-34-29(23)24)36(2)27-6-4-5-7-28(27)38-3/h4-11,15-20H,12-14,32H2,1-3H3,(H,35,37)/t18-,19+,20-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
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n/an/a<10n/an/an/an/an/an/a



Abbott Laboratories



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 50: 641-62 (2007)


BindingDB Entry DOI: 10.7270/Q2MP55J7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM376821
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-12-19(14-20(32)13-18)22-10-11-33-17-26(22)35-30(37)23-8-9-25(31)24-15-21(16-34-29(23)24)36(2)27-6-4-5-7-28(27)38-3/h4-11,15-20H,12-14,32H2,1-3H3,(H,35,37)/t18-,19+,20-/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a<10n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM376821
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-12-19(14-20(32)13-18)22-10-11-33-17-26(22)35-30(37)23-8-9-25(31)24-15-21(16-34-29(23)24)36(2)27-6-4-5-7-28(27)38-3/h4-11,15-20H,12-14,32H2,1-3H3,(H,35,37)/t18-,19+,20-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM376821
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES COc1ccccc1N(C)c1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-12-19(14-20(32)13-18)22-10-11-33-17-26(22)35-30(37)23-8-9-25(31)24-15-21(16-34-29(23)24)36(2)27-6-4-5-7-28(27)38-3/h4-11,15-20H,12-14,32H2,1-3H3,(H,35,37)/t18-,19+,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Abbott Laboratories



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...


J Med Chem 50: 641-62 (2007)


BindingDB Entry DOI: 10.7270/Q2MP55J7
More data for this
Ligand-Target Pair