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SMILES: CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1

InChI Key: InChIKey=HESCUXZPLUQGJV-UAGQMJEPSA-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 = 376667   
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))		BDBM376667
PNG
(N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridi...)
Show SMILES CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C24H27FN4O/c1-3-15-10-20-21(25)5-4-19(23(20)28-12-15)24(30)29-22-13-27-7-6-18(22)16-8-14(2)9-17(26)11-16/h4-7,10,12-14,16-17H,3,8-9,11,26H2,1-2H3,(H,29,30)/t14-,16+,17-/m0/s1
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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))		BDBM376667
PNG
(N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridi...)
Show SMILES CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C24H27FN4O/c1-3-15-10-20-21(25)5-4-19(23(20)28-12-15)24(30)29-22-13-27-7-6-18(22)16-8-14(2)9-17(26)11-16/h4-7,10,12-14,16-17H,3,8-9,11,26H2,1-2H3,(H,29,30)/t14-,16+,17-/m0/s1
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n/an/a 550n/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))		BDBM376667
PNG
(N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridi...)
Show SMILES CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C24H27FN4O/c1-3-15-10-20-21(25)5-4-19(23(20)28-12-15)24(30)29-22-13-27-7-6-18(22)16-8-14(2)9-17(26)11-16/h4-7,10,12-14,16-17H,3,8-9,11,26H2,1-2H3,(H,29,30)/t14-,16+,17-/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))		BDBM376667
PNG
(N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridi...)
Show SMILES CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C24H27FN4O/c1-3-15-10-20-21(25)5-4-19(23(20)28-12-15)24(30)29-22-13-27-7-6-18(22)16-8-14(2)9-17(26)11-16/h4-7,10,12-14,16-17H,3,8-9,11,26H2,1-2H3,(H,29,30)/t14-,16+,17-/m0/s1
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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))		BDBM376667
PNG
(N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridi...)
Show SMILES CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C24H27FN4O/c1-3-15-10-20-21(25)5-4-19(23(20)28-12-15)24(30)29-22-13-27-7-6-18(22)16-8-14(2)9-17(26)11-16/h4-7,10,12-14,16-17H,3,8-9,11,26H2,1-2H3,(H,29,30)/t14-,16+,17-/m0/s1
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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))		BDBM376667
PNG
(N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridi...)
Show SMILES CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C24H27FN4O/c1-3-15-10-20-21(25)5-4-19(23(20)28-12-15)24(30)29-22-13-27-7-6-18(22)16-8-14(2)9-17(26)11-16/h4-7,10,12-14,16-17H,3,8-9,11,26H2,1-2H3,(H,29,30)/t14-,16+,17-/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))		BDBM376667
PNG
(N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridi...)
Show SMILES CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C24H27FN4O/c1-3-15-10-20-21(25)5-4-19(23(20)28-12-15)24(30)29-22-13-27-7-6-18(22)16-8-14(2)9-17(26)11-16/h4-7,10,12-14,16-17H,3,8-9,11,26H2,1-2H3,(H,29,30)/t14-,16+,17-/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))		BDBM376667
PNG
(N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridi...)
Show SMILES CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C24H27FN4O/c1-3-15-10-20-21(25)5-4-19(23(20)28-12-15)24(30)29-22-13-27-7-6-18(22)16-8-14(2)9-17(26)11-16/h4-7,10,12-14,16-17H,3,8-9,11,26H2,1-2H3,(H,29,30)/t14-,16+,17-/m0/s1
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UniProtKB/SwissProt

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antibodypedia
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n/an/a 550n/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))		BDBM376667
PNG
(N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridi...)
Show SMILES CCc1cnc2c(ccc(F)c2c1)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)C[C@H](N)C1 |r|
Show InChI InChI=1S/C24H27FN4O/c1-3-15-10-20-21(25)5-4-19(23(20)28-12-15)24(30)29-22-13-27-7-6-18(22)16-8-14(2)9-17(26)11-16/h4-7,10,12-14,16-17H,3,8-9,11,26H2,1-2H3,(H,29,30)/t14-,16+,17-/m0/s1
PDB
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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



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