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BDBM192574 US9187486, 37::US9187486, 39::US9187486, 60

SMILES: C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F

InChI Key: InChIKey=BYFQNMWZRKKFRI-CABCVRRESA-N

Data: 11 IC50

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 11 hits for monomerid = 192574   
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))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9187486 (2015)


BindingDB Entry DOI: 10.7270/Q24748NM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9187486 (2015)


BindingDB Entry DOI: 10.7270/Q24748NM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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US Patent
n/an/a 0.100n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9187486 (2015)


BindingDB Entry DOI: 10.7270/Q24748NM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9187486 (2015)


BindingDB Entry DOI: 10.7270/Q24748NM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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US Patent
n/an/a 7.80n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9187486 (2015)


BindingDB Entry DOI: 10.7270/Q24748NM
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled dofetilide binding to human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 5580-5590 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.067
BindingDB Entry DOI: 10.7270/Q261128M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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n/an/a 0.0940n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pim2 (unknown origin) by electrochemiluminescence assay


Bioorg Med Chem Lett 26: 5580-5590 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.067
BindingDB Entry DOI: 10.7270/Q261128M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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PubMed
n/an/a 0.0240n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pim1 (unknown origin) by electrochemiluminescence assay


Bioorg Med Chem Lett 26: 5580-5590 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.067
BindingDB Entry DOI: 10.7270/Q261128M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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PubMed
n/an/a 0.0270n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin)


Bioorg Med Chem Lett 26: 5580-5590 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.067
BindingDB Entry DOI: 10.7270/Q261128M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1/2 in human KMS-12 cells assessed as decrease in BAD phosphorylation at Ser112 by Western blot method


Bioorg Med Chem Lett 26: 5580-5590 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.067
BindingDB Entry DOI: 10.7270/Q261128M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM192574
PNG
(US9187486, 37 | US9187486, 39 | US9187486, 60)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1ccncc1Nc1ncc2ccc(nn12)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C23H23F2N7/c1-14-9-15(26)13-31(12-14)21-7-8-27-11-20(21)29-23-28-10-16-5-6-19(30-32(16)23)22-17(24)3-2-4-18(22)25/h2-8,10-11,14-15H,9,12-13,26H2,1H3,(H,28,29)/t14-,15+/m1/s1
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9187486 (2015)


BindingDB Entry DOI: 10.7270/Q24748NM
More data for this
Ligand-Target Pair