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PubMed code 22540945

Compile data set for download or QSAR
Found 19 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


(Homo sapiens (Human))
BDBM50391946
PNG
(CHEMBL2147763)
Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H23N3O3/c1-28-20-7-6-17-22(27)21(12-15-13-25-19-5-3-2-4-16(15)19)29-23(17)18(20)14-26-10-8-24-9-11-26/h2-7,12-13,24-25H,8-11,14H2,1H3/b21-12-
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n/an/a 2n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391948
PNG
(CHEMBL2147767)
Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ncccc12
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 2n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(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 3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391947
PNG
(CHEMBL2147764)
Show SMILES CCOc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H25N3O3/c1-2-29-21-8-7-18-23(28)22(13-16-14-26-20-6-4-3-5-17(16)20)30-24(18)19(21)15-27-11-9-25-10-12-27/h3-8,13-14,25-26H,2,9-12,15H2,1H3/b22-13-
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n/an/a 6n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(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 6n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391942
PNG
(CHEMBL2147765)
Show SMILES CCCOc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H27N3O3/c1-2-13-30-22-8-7-19-24(29)23(14-17-15-27-21-6-4-3-5-18(17)21)31-25(19)20(22)16-28-11-9-26-10-12-28/h3-8,14-15,26-27H,2,9-13,16H2,1H3/b23-14-
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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 PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(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 13n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM3 by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391939
PNG
(CHEMBL2147760)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O3/c26-19-6-5-16-21(27)20(11-14-12-24-18-4-2-1-3-15(14)18)28-22(16)17(19)13-25-9-7-23-8-10-25/h1-6,11-12,23-24,26H,7-10,13H2/b20-11-
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n/an/a 17n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391941
PNG
(CHEMBL2147762)
Show SMILES O=C1\C(Oc2c1cccc2CN1CCNCC1)=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H21N3O2/c26-21-18-6-3-4-15(14-25-10-8-23-9-11-25)22(18)27-20(21)12-16-13-24-19-7-2-1-5-17(16)19/h1-7,12-13,23-24H,8-11,14H2/b20-12-
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n/an/a 20n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391943
PNG
(CHEMBL2147766)
Show SMILES O=C1\C(Oc2c1ccc(OCc1ccccc1)c2CN1CCNCC1)=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H27N3O3/c33-28-23-10-11-26(34-19-20-6-2-1-3-7-20)24(18-32-14-12-30-13-15-32)29(23)35-27(28)16-21-17-31-25-9-5-4-8-22(21)25/h1-11,16-17,30-31H,12-15,18-19H2/b27-16-
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n/an/a 43n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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 47n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391944
PNG
(CHEMBL2147769)
Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ccncc12
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 53n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(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 92n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391937
PNG
(CHEMBL2147759)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCCNCC1)=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H23N3O3/c27-20-7-6-17-22(28)21(12-15-13-25-19-5-2-1-4-16(15)19)29-23(17)18(20)14-26-10-3-8-24-9-11-26/h1-2,4-7,12-13,24-25,27H,3,8-11,14H2/b21-12-
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n/an/a 102n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391940
PNG
(CHEMBL2147761)
Show SMILES CN1CCN(Cc2c3O\C(=C/c4c[nH]c5ccccc45)C(=O)c3ccc2O)CC1
Show InChI InChI=1S/C23H23N3O3/c1-25-8-10-26(11-9-25)14-18-20(27)7-6-17-22(28)21(29-23(17)18)12-15-13-24-19-5-3-2-4-16(15)19/h2-7,12-13,24,27H,8-11,14H2,1H3/b21-12-
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n/an/a 388n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391936
PNG
(CHEMBL2147758)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCCCCC1)=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H24N2O3/c27-21-10-9-18-23(28)22(13-16-14-25-20-8-4-3-7-17(16)20)29-24(18)19(21)15-26-11-5-1-2-6-12-26/h3-4,7-10,13-14,25,27H,1-2,5-6,11-12,15H2/b22-13-
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n/an/a 410n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50391945
PNG
(CHEMBL2147770)
Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2cccnc12
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 447n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50364776
PNG
(CHEMBL1952141 | CHEMBL1952329)
Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
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n/an/a 980n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(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 1.16E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of PIM2 by electrophoretic mobility shift assay


J Med Chem 55: 5151-64 (2012)


Article DOI: 10.1021/jm3001289
BindingDB Entry DOI: 10.7270/Q2PC33G8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%