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SMILES: C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1

InChI Key: InChIKey=HGXZUJZPHSTCIH-KSZLIROESA-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 = 376785   
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))
BDBM376785
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1 |r|
Show InChI InChI=1S/C27H32FN5O/c1-16-8-17(10-18(29)9-16)20-6-7-30-13-24(20)32-26(34)21-4-5-23(28)22-11-19(12-31-25(21)22)33-14-27(2,3)15-33/h4-7,11-13,16-18H,8-10,14-15,29H2,1-3H3,(H,32,34)/t16-,17+,18-/m0/s1
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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))
BDBM376785
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1 |r|
Show InChI InChI=1S/C27H32FN5O/c1-16-8-17(10-18(29)9-16)20-6-7-30-13-24(20)32-26(34)21-4-5-23(28)22-11-19(12-31-25(21)22)33-14-27(2,3)15-33/h4-7,11-13,16-18H,8-10,14-15,29H2,1-3H3,(H,32,34)/t16-,17+,18-/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))
BDBM376785
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1 |r|
Show InChI InChI=1S/C27H32FN5O/c1-16-8-17(10-18(29)9-16)20-6-7-30-13-24(20)32-26(34)21-4-5-23(28)22-11-19(12-31-25(21)22)33-14-27(2,3)15-33/h4-7,11-13,16-18H,8-10,14-15,29H2,1-3H3,(H,32,34)/t16-,17+,18-/m0/s1
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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))
BDBM376785
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1 |r|
Show InChI InChI=1S/C27H32FN5O/c1-16-8-17(10-18(29)9-16)20-6-7-30-13-24(20)32-26(34)21-4-5-23(28)22-11-19(12-31-25(21)22)33-14-27(2,3)15-33/h4-7,11-13,16-18H,8-10,14-15,29H2,1-3H3,(H,32,34)/t16-,17+,18-/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))
BDBM376785
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1 |r|
Show InChI InChI=1S/C27H32FN5O/c1-16-8-17(10-18(29)9-16)20-6-7-30-13-24(20)32-26(34)21-4-5-23(28)22-11-19(12-31-25(21)22)33-14-27(2,3)15-33/h4-7,11-13,16-18H,8-10,14-15,29H2,1-3H3,(H,32,34)/t16-,17+,18-/m0/s1
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n/an/a<10n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20V8GZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM376785
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1 |r|
Show InChI InChI=1S/C27H32FN5O/c1-16-8-17(10-18(29)9-16)20-6-7-30-13-24(20)32-26(34)21-4-5-23(28)22-11-19(12-31-25(21)22)33-14-27(2,3)15-33/h4-7,11-13,16-18H,8-10,14-15,29H2,1-3H3,(H,32,34)/t16-,17+,18-/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-1


(Homo sapiens (Human))
BDBM376785
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1 |r|
Show InChI InChI=1S/C27H32FN5O/c1-16-8-17(10-18(29)9-16)20-6-7-30-13-24(20)32-26(34)21-4-5-23(28)22-11-19(12-31-25(21)22)33-14-27(2,3)15-33/h4-7,11-13,16-18H,8-10,14-15,29H2,1-3H3,(H,32,34)/t16-,17+,18-/m0/s1
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n/an/a<10n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20V8GZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM376785
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1 |r|
Show InChI InChI=1S/C27H32FN5O/c1-16-8-17(10-18(29)9-16)20-6-7-30-13-24(20)32-26(34)21-4-5-23(28)22-11-19(12-31-25(21)22)33-14-27(2,3)15-33/h4-7,11-13,16-18H,8-10,14-15,29H2,1-3H3,(H,32,34)/t16-,17+,18-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20V8GZM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM376785
PNG
(N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridi...)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CC(C)(C)C1 |r|
Show InChI InChI=1S/C27H32FN5O/c1-16-8-17(10-18(29)9-16)20-6-7-30-13-24(20)32-26(34)21-4-5-23(28)22-11-19(12-31-25(21)22)33-14-27(2,3)15-33/h4-7,11-13,16-18H,8-10,14-15,29H2,1-3H3,(H,32,34)/t16-,17+,18-/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