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SMILES: C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c2cc(cnc12)N1CCCC[C@H]1C

InChI Key: InChIKey=VQNYBTPYLJEXAX-NMLBUPMWSA-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 = 376838   
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))
BDBM376838
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)N1CCCC[C@H]1C |r|
Show InChI InChI=1S/C28H34FN5O/c1-17-11-19(13-20(30)12-17)22-8-9-31-16-26(22)33-28(35)23-6-7-25(29)24-14-21(15-32-27(23)24)34-10-4-3-5-18(34)2/h6-9,14-20H,3-5,10-13,30H2,1-2H3,(H,33,35)/t17-,18+,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))
BDBM376838
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)N1CCCC[C@H]1C |r|
Show InChI InChI=1S/C28H34FN5O/c1-17-11-19(13-20(30)12-17)22-8-9-31-16-26(22)33-28(35)23-6-7-25(29)24-14-21(15-32-27(23)24)34-10-4-3-5-18(34)2/h6-9,14-20H,3-5,10-13,30H2,1-2H3,(H,33,35)/t17-,18+,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))
BDBM376838
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)N1CCCC[C@H]1C |r|
Show InChI InChI=1S/C28H34FN5O/c1-17-11-19(13-20(30)12-17)22-8-9-31-16-26(22)33-28(35)23-6-7-25(29)24-14-21(15-32-27(23)24)34-10-4-3-5-18(34)2/h6-9,14-20H,3-5,10-13,30H2,1-2H3,(H,33,35)/t17-,18+,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))
BDBM376838
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)N1CCCC[C@H]1C |r|
Show InChI InChI=1S/C28H34FN5O/c1-17-11-19(13-20(30)12-17)22-8-9-31-16-26(22)33-28(35)23-6-7-25(29)24-14-21(15-32-27(23)24)34-10-4-3-5-18(34)2/h6-9,14-20H,3-5,10-13,30H2,1-2H3,(H,33,35)/t17-,18+,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))
BDBM376838
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)N1CCCC[C@H]1C |r|
Show InChI InChI=1S/C28H34FN5O/c1-17-11-19(13-20(30)12-17)22-8-9-31-16-26(22)33-28(35)23-6-7-25(29)24-14-21(15-32-27(23)24)34-10-4-3-5-18(34)2/h6-9,14-20H,3-5,10-13,30H2,1-2H3,(H,33,35)/t17-,18+,19+,20-/m0/s1
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antibodypedia
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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))
BDBM376838
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)N1CCCC[C@H]1C |r|
Show InChI InChI=1S/C28H34FN5O/c1-17-11-19(13-20(30)12-17)22-8-9-31-16-26(22)33-28(35)23-6-7-25(29)24-14-21(15-32-27(23)24)34-10-4-3-5-18(34)2/h6-9,14-20H,3-5,10-13,30H2,1-2H3,(H,33,35)/t17-,18+,19+,20-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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))
BDBM376838
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)N1CCCC[C@H]1C |r|
Show InChI InChI=1S/C28H34FN5O/c1-17-11-19(13-20(30)12-17)22-8-9-31-16-26(22)33-28(35)23-6-7-25(29)24-14-21(15-32-27(23)24)34-10-4-3-5-18(34)2/h6-9,14-20H,3-5,10-13,30H2,1-2H3,(H,33,35)/t17-,18+,19+,20-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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))
BDBM376838
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)N1CCCC[C@H]1C |r|
Show InChI InChI=1S/C28H34FN5O/c1-17-11-19(13-20(30)12-17)22-8-9-31-16-26(22)33-28(35)23-6-7-25(29)24-14-21(15-32-27(23)24)34-10-4-3-5-18(34)2/h6-9,14-20H,3-5,10-13,30H2,1-2H3,(H,33,35)/t17-,18+,19+,20-/m0/s1
PDB
MMDB

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))
BDBM376838
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)N1CCCC[C@H]1C |r|
Show InChI InChI=1S/C28H34FN5O/c1-17-11-19(13-20(30)12-17)22-8-9-31-16-26(22)33-28(35)23-6-7-25(29)24-14-21(15-32-27(23)24)34-10-4-3-5-18(34)2/h6-9,14-20H,3-5,10-13,30H2,1-2H3,(H,33,35)/t17-,18+,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