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PubMed code 26547690

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50499276
PNG
(CHEMBL3735861)
Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCN[C@@H](C)C1)=C\c1n[nH]c2ncccc12 |r|
Show InChI InChI=1S/C22H23N5O3/c1-13-11-27(9-8-23-13)12-16-18(29-2)6-5-15-20(28)19(30-21(15)16)10-17-14-4-3-7-24-22(14)26-25-17/h3-7,10,13,23H,8-9,11-12H2,1-2H3,(H,24,25,26)/b19-10-/t13-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50499277
PNG
(CHEMBL3735633)
Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNC[C@@H]1C)=C\c1n[nH]c2ncccc12 |r|
Show InChI InChI=1S/C22H23N5O3/c1-13-11-23-8-9-27(13)12-16-18(29-2)6-5-15-20(28)19(30-21(15)16)10-17-14-4-3-7-24-22(14)26-25-17/h3-7,10,13,23H,8-9,11-12H2,1-2H3,(H,24,25,26)/b19-10-/t13-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50391948
PNG
(CHEMBL2147767)
Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ncccc12 |w:19.22|
Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-16-20(27)19(11-14-12-25-22-15(14)3-2-6-24-22)29-21(16)17(18)13-26-9-7-23-8-10-26/h2-6,11-12,23H,7-10,13H2,1H3,(H,24,25)
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n/an/a 1.30n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50499281
PNG
(CHEMBL3735816)
Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1n[nH]c2ncccc12
Show InChI InChI=1S/C21H21N5O3/c1-28-17-5-4-14-19(27)18(11-16-13-3-2-6-23-21(13)25-24-16)29-20(14)15(17)12-26-9-7-22-8-10-26/h2-6,11,22H,7-10,12H2,1H3,(H,23,24,25)/b18-11-
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n/an/a 1.80n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50499279
PNG
(CHEMBL3735890)
Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12
Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-
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n/an/a 1.90n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50499279
PNG
(CHEMBL3735890)
Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12
Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-
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n/an/a 2.5n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50499282
PNG
(CHEMBL3735657)
Show SMILES COCCOc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12
Show InChI InChI=1S/C24H27N5O4/c1-15(29-10-8-25-9-11-29)21-19(32-13-12-31-2)6-5-17-22(30)20(33-23(17)21)14-18-16-4-3-7-26-24(16)28-27-18/h3-7,14-15,25H,8-13H2,1-2H3,(H,26,27,28)/b20-14-
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n/an/a 3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50499275
PNG
(CHEMBL3736117)
Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCN[C@H](C)C1)=C\c1n[nH]c2ncccc12 |r|
Show InChI InChI=1S/C22H23N5O3/c1-13-11-27(9-8-23-13)12-16-18(29-2)6-5-15-20(28)19(30-21(15)16)10-17-14-4-3-7-24-22(14)26-25-17/h3-7,10,13,23H,8-9,11-12H2,1-2H3,(H,24,25,26)/b19-10-/t13-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50499279
PNG
(CHEMBL3735890)
Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12
Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-
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n/an/a 6.10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50499280
PNG
(CHEMBL3735412)
Show SMILES CC(N1CCNCC1)c1c2O\C(=C/c3n[nH]c4ncccc34)C(=O)c2ccc1OCCO
Show InChI InChI=1S/C23H25N5O4/c1-14(28-9-7-24-8-10-28)20-18(31-12-11-29)5-4-16-21(30)19(32-22(16)20)13-17-15-3-2-6-25-23(15)27-26-17/h2-6,13-14,24,29H,7-12H2,1H3,(H,25,26,27)/b19-13-
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n/an/a 6.40n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens (Human))		BDBM50499279
PNG
(CHEMBL3735890)
Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12
Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-
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n/an/a 12n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of DAPK1 (unknown origin) by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50499278
PNG
(CHEMBL3735628)
Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNC[C@H]1C)=C\c1n[nH]c2ncccc12 |r|
Show InChI InChI=1S/C22H23N5O3/c1-13-11-23-8-9-27(13)12-16-18(29-2)6-5-15-20(28)19(30-21(15)16)10-17-14-4-3-7-24-22(14)26-25-17/h3-7,10,13,23H,8-9,11-12H2,1-2H3,(H,24,25,26)/b19-10-/t13-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50391938
PNG
(CHEMBL2147845)
Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1n[nH]c2ccccc12
Show InChI InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12-
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n/an/a 25n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50391949
PNG
(CHEMBL2147768)
Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2cnccc12
Show InChI InChI=1S/C22H22N4O3/c1-28-19-3-2-16-21(27)20(10-14-11-25-18-12-24-5-4-15(14)18)29-22(16)17(19)13-26-8-6-23-7-9-26/h2-5,10-12,23,25H,6-9,13H2,1H3/b20-10-
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n/an/a 44n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50391944
PNG
(CHEMBL2147769)
Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ccncc12 |w:19.22|
Show InChI InChI=1S/C22H22N4O3/c1-28-19-3-2-15-21(27)20(10-14-11-25-18-4-5-24-12-16(14)18)29-22(15)17(19)13-26-8-6-23-7-9-26/h2-5,10-12,23,25H,6-9,13H2,1H3
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n/an/a 130n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))		BDBM50391938
PNG
(CHEMBL2147845)
Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1n[nH]c2ccccc12
Show InChI InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12-
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n/an/a>1.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50391945
PNG
(CHEMBL2147770)
Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2cccnc12 |w:19.22|
Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-15-21(27)19(11-14-12-25-17-3-2-6-24-20(14)17)29-22(15)16(18)13-26-9-7-23-8-10-26/h2-6,11-12,23,25H,7-10,13H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay

Bioorg Med Chem Lett 25: 5687-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.098
BindingDB Entry DOI: 10.7270/Q2JD50SX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%