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Compile Data Set for Download or QSAR

Found 15945 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PIM'   
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-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518520
PNG
(CHEMBL4593810)
Show SMILES CC(O)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
Show InChI InChI=1S/C17H18Cl2N4O2/c1-9(24)4-5-13-15(19)14-11(18)7-12(16(20)25)22-17(14)23(13)10-3-2-6-21-8-10/h7,9-10,21,24H,2-3,6,8H2,1H3,(H2,20,25)/t9?,10-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518510
PNG
(CHEMBL4448325)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CCCO)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C17H18Cl2N4O2/c18-11-8-12(16(20)25)22-17-14(11)15(19)13(5-1-2-7-24)23(17)10-4-3-6-21-9-10/h8,10,21,24H,2-4,6-7,9H2,(H2,20,25)/t10-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518517
PNG
(CHEMBL4540910)
Show SMILES COCCC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
Show InChI InChI=1S/C18H20Cl2N4O2/c1-26-8-3-2-6-14-16(20)15-12(19)9-13(17(21)25)23-18(15)24(14)11-5-4-7-22-10-11/h9,11,22H,3-5,7-8,10H2,1H3,(H2,21,25)/t11-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518521
PNG
(CHEMBL4564586)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CC3)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C18H18Cl2N4O/c19-12-8-13(17(21)25)23-18-15(12)16(20)14(6-5-10-3-4-10)24(18)11-2-1-7-22-9-11/h8,10-11,22H,1-4,7,9H2,(H2,21,25)/t11-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518506
PNG
(CHEMBL4588948)
Show SMILES CC(O)CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
Show InChI InChI=1S/C18H20Cl2N4O2/c1-10(25)4-2-6-14-16(20)15-12(19)8-13(17(21)26)23-18(15)24(14)11-5-3-7-22-9-11/h8,10-11,22,25H,3-5,7,9H2,1H3,(H2,21,26)/t10?,11-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518519
PNG
(CHEMBL4457389)
Show SMILES CC1(CC#Cc2c(Cl)c3c(Cl)cc(nc3n2[C@H]2CCCNC2)C(N)=O)COC1 |r|
Show InChI InChI=1S/C20H22Cl2N4O2/c1-20(10-28-11-20)6-2-5-15-17(22)16-13(21)8-14(18(23)27)25-19(16)26(15)12-4-3-7-24-9-12/h8,12,24H,3-4,6-7,9-11H2,1H3,(H2,23,27)/t12-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518509
PNG
(CHEMBL4587382)
Show SMILES CC(C)(O)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
Show InChI InChI=1S/C18H20Cl2N4O2/c1-18(2,26)6-5-13-15(20)14-11(19)8-12(16(21)25)23-17(14)24(13)10-4-3-7-22-9-10/h8,10,22,26H,3-4,7,9H2,1-2H3,(H2,21,25)/t10-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518518
PNG
(CHEMBL4470576)
Show SMILES CC1(COC1)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
Show InChI InChI=1S/C19H20Cl2N4O2/c1-19(9-27-10-19)5-4-14-16(21)15-12(20)7-13(17(22)26)24-18(15)25(14)11-3-2-6-23-8-11/h7,11,23H,2-3,6,8-10H2,1H3,(H2,22,26)/t11-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364793
PNG
(CHEMBL1952113)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12
Show InChI InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)
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n/an/an/an/a 45n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364778
PNG
(CHEMBL1952143)
Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C20H27N7O/c1-26(2)15-5-4-6-16(11-15)27-20-19(24-25-27)17(28-3)12-18(23-20)22-13-14-7-9-21-10-8-14/h4-6,11-12,14,21H,7-10,13H2,1-3H3,(H,22,23)
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518513
PNG
(CHEMBL4528544)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCOCC3)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C20H22Cl2N4O2/c21-14-10-15(19(23)27)25-20-17(14)18(22)16(4-3-12-5-8-28-9-6-12)26(20)13-2-1-7-24-11-13/h10,12-13,24H,1-2,5-9,11H2,(H2,23,27)/t13-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518522
PNG
(CHEMBL4466080)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CCO)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C16H16Cl2N4O2/c17-10-7-11(15(19)24)21-16-13(10)14(18)12(4-2-6-23)22(16)9-3-1-5-20-8-9/h7,9,20,23H,1,3,5-6,8H2,(H2,19,24)/t9-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518512
PNG
(CHEMBL4541837)
Show SMILES COC(C)(C)CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
Show InChI InChI=1S/C20H24Cl2N4O2/c1-20(2,28-3)8-4-7-15-17(22)16-13(21)10-14(18(23)27)25-19(16)26(15)12-6-5-9-24-11-12/h10,12,24H,5-6,8-9,11H2,1-3H3,(H2,23,27)/t12-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518504
PNG
(CHEMBL4466764)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3COCCO3)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C19H20Cl2N4O3/c20-13-8-14(18(22)26)24-19-16(13)17(21)15(4-3-12-10-27-6-7-28-12)25(19)11-2-1-5-23-9-11/h8,11-12,23H,1-2,5-7,9-10H2,(H2,22,26)/t11-,12?/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364777
PNG
(CHEMBL1952142)
Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364777
PNG
(CHEMBL1952142)
Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518504
PNG
(CHEMBL4466764)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3COCCO3)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C19H20Cl2N4O3/c20-13-8-14(18(22)26)24-19-16(13)17(21)15(4-3-12-10-27-6-7-28-12)25(19)11-2-1-5-23-9-11/h8,11-12,23H,1-2,5-7,9-10H2,(H2,22,26)/t11-,12?/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510181
PNG
(CHEMBL4483071)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccc(Cl)c(NCC3(F)CCNCC3)c2n1
Show InChI InChI=1S/C23H24ClFN8O/c1-32-10-11-34-20-17(32)12-28-33-21(30-31-22(20)33)16-5-3-14-2-4-15(24)19(18(14)29-16)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518516
PNG
(CHEMBL4445116)
Show SMILES CC(C)(CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O)C#N |r|
Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,11-23)7-3-6-15-17(22)16-13(21)9-14(18(24)28)26-19(16)27(15)12-5-4-8-25-10-12/h9,12,25H,4-5,7-8,10H2,1-2H3,(H2,24,28)/t12-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518515
PNG
(CHEMBL4446498)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CCN3CCCC3=O)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C20H21Cl2N5O2/c21-13-10-14(19(23)29)25-20-17(13)18(22)15(27(20)12-4-1-7-24-11-12)5-2-8-26-9-3-6-16(26)28/h10,12,24H,1,3-4,6-9,11H2,(H2,23,29)/t12-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518511
PNG
(CHEMBL4457529)
Show SMILES COCC(C)(C)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
Show InChI InChI=1S/C20H24Cl2N4O2/c1-20(2,11-28-3)7-6-15-17(22)16-13(21)9-14(18(23)27)25-19(16)26(15)12-5-4-8-24-10-12/h9,12,24H,4-5,8,10-11H2,1-3H3,(H2,23,27)/t12-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510164
PNG
(CHEMBL4521827)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NC3CCCCC3)c2c1
Show InChI InChI=1S/C23H25N7O/c1-29-11-12-31-20-19(29)14-25-30-22(27-28-23(20)30)16-8-7-15-9-10-24-21(18(15)13-16)26-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,24,26)
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518514
PNG
(CHEMBL4563802)
Show SMILES CN1CC(CC1=O)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r|
Show InChI InChI=1S/C20H21Cl2N5O2/c1-26-10-11(7-16(26)28)4-5-15-18(22)17-13(21)8-14(19(23)29)25-20(17)27(15)12-3-2-6-24-9-12/h8,11-12,24H,2-3,6-7,9-10H2,1H3,(H2,23,29)/t11?,12-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518508
PNG
(CHEMBL4533366)
Show SMILES CC(C)(CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O)C(N)=O |r|
Show InChI InChI=1S/C20H23Cl2N5O2/c1-20(2,19(24)29)7-3-6-14-16(22)15-12(21)9-13(17(23)28)26-18(15)27(14)11-5-4-8-25-10-11/h9,11,25H,4-5,7-8,10H2,1-2H3,(H2,23,28)(H2,24,29)/t11-/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518505
PNG
(CHEMBL4518492)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCCO3)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C19H20Cl2N4O2/c20-13-9-14(18(22)26)24-19-16(13)17(21)15(6-5-12-4-2-8-27-12)25(19)11-3-1-7-23-10-11/h9,11-12,23H,1-4,7-8,10H2,(H2,22,26)/t11-,12?/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518505
PNG
(CHEMBL4518492)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCCO3)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C19H20Cl2N4O2/c20-13-9-14(18(22)26)24-19-16(13)17(21)15(6-5-12-4-2-8-27-12)25(19)11-3-1-7-23-10-11/h9,11-12,23H,1-4,7-8,10H2,(H2,22,26)/t11-,12?/m0/s1
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Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364773
PNG
(CHEMBL1952134)
Show SMILES CN(C)c1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12
Show InChI InChI=1S/C19H25N7/c1-25(2)15-4-3-5-16(12-15)26-19-17(23-24-26)6-7-18(22-19)21-13-14-8-10-20-11-9-14/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,21,22)
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510182
PNG
(CHEMBL4526558)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1
Show InChI InChI=1S/C23H23F3N8O/c1-33-8-9-35-20-17(33)11-29-34-21(31-32-22(20)34)15-3-2-13-18(25)14(24)10-16(19(13)30-15)28-12-23(26)4-6-27-7-5-23/h2-3,10-11,27-28H,4-9,12H2,1H3
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510165
PNG
(CHEMBL4543342)
Show SMILES CN1CCC(CNc2cccc3ccc(nc23)-c2nnc3c4OCCN(C)c4cnn23)CC1
Show InChI InChI=1S/C24H28N8O/c1-30-10-8-16(9-11-30)14-25-18-5-3-4-17-6-7-19(27-21(17)18)23-28-29-24-22-20(15-26-32(23)24)31(2)12-13-33-22/h3-7,15-16,25H,8-14H2,1-2H3
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(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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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510168
PNG
(CHEMBL4460019)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NCC3(F)CCNCC3)c2c1
Show InChI InChI=1S/C23H25FN8O/c1-31-10-11-33-19-18(31)13-28-32-21(29-30-22(19)32)16-3-2-15-4-7-26-20(17(15)12-16)27-14-23(24)5-8-25-9-6-23/h2-4,7,12-13,25H,5-6,8-11,14H2,1H3,(H,26,27)
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(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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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510170
PNG
(CHEMBL4468395)
Show SMILES CN1CCC(CC1)Nc1cccc2ccc(nc12)-c1nnc2c3OCCN(C)c3cnn12
Show InChI InChI=1S/C23H26N8O/c1-29-10-8-16(9-11-29)25-17-5-3-4-15-6-7-18(26-20(15)17)22-27-28-23-21-19(14-24-31(22)23)30(2)12-13-32-21/h3-7,14,16,25H,8-13H2,1-2H3
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510161
PNG
(CHEMBL4576509)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3(F)CCNCC3)c2n1
Show InChI InChI=1S/C23H25FN8O/c1-31-11-12-33-20-18(31)13-27-32-21(29-30-22(20)32)17-6-5-15-3-2-4-16(19(15)28-17)26-14-23(24)7-9-25-10-8-23/h2-6,13,25-26H,7-12,14H2,1H3
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510178
PNG
(CHEMBL4547383)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NC3CCCCC3)c2n1
Show InChI InChI=1S/C23H25N7O/c1-29-12-13-31-21-19(29)14-24-30-22(27-28-23(21)30)18-11-10-15-6-5-9-17(20(15)26-18)25-16-7-3-2-4-8-16/h5-6,9-11,14,16,25H,2-4,7-8,12-13H2,1H3
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510163
PNG
(CHEMBL4556293)
Show SMILES COCCN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1
Show InChI InChI=1S/C25H30N8O2/c1-34-13-11-32-12-14-35-23-21(32)16-28-33-24(30-31-25(23)33)20-6-5-18-3-2-4-19(22(18)29-20)27-15-17-7-9-26-10-8-17/h2-6,16-17,26-27H,7-15H2,1H3
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510185
PNG
(CHEMBL4449598)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NC3CCCCC3)c2c1
Show InChI InChI=1S/C24H26N6O/c1-29-12-13-31-22-21(29)15-25-30-23(27-28-24(22)30)17-11-10-16-6-5-9-20(19(16)14-17)26-18-7-3-2-4-8-18/h5-6,9-11,14-15,18,26H,2-4,7-8,12-13H2,1H3
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Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510172
PNG
(CHEMBL4527736)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)ccc(NCC3(F)CCNCC3)c2n1
Show InChI InChI=1S/C23H24F2N8O/c1-32-10-11-34-20-18(32)12-28-33-21(30-31-22(20)33)17-4-2-14-15(24)3-5-16(19(14)29-17)27-13-23(25)6-8-26-9-7-23/h2-5,12,26-27H,6-11,13H2,1H3
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n/an/an/an/a 283n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518507
PNG
(CHEMBL4583118)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CNCCO3)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C19H21Cl2N5O2/c20-13-8-14(18(22)27)25-19-16(13)17(21)15(4-3-12-10-24-6-7-28-12)26(19)11-2-1-5-23-9-11/h8,11-12,23-24H,1-2,5-7,9-10H2,(H2,22,27)/t11-,12?/m0/s1
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n/an/an/an/a 283n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1/pim-2/pim-3


(Homo sapiens (Human))
BDBM50518507
PNG
(CHEMBL4583118)
Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CNCCO3)n([C@H]3CCCNC3)c2n1 |r|
Show InChI InChI=1S/C19H21Cl2N5O2/c20-13-8-14(18(22)27)25-19-16(13)17(21)15(4-3-12-10-24-6-7-28-12)26(19)11-2-1-5-23-9-11/h8,11-12,23-24H,1-2,5-7,9-10H2,(H2,22,27)/t11-,12?/m0/s1
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n/an/an/an/a 283n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level


Bioorg Med Chem Lett 29: 491-495 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.015
BindingDB Entry DOI: 10.7270/Q21V5J93
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510190
PNG
(CHEMBL4461326)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NC3CCOCC3)c2n1
Show InChI InChI=1S/C22H23N7O2/c1-28-9-12-31-20-18(28)13-23-29-21(26-27-22(20)29)17-6-5-14-3-2-4-16(19(14)25-17)24-15-7-10-30-11-8-15/h2-6,13,15,24H,7-12H2,1H3
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n/an/an/an/a 322n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510197
PNG
(CHEMBL4513415)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCOCC3)c2n1
Show InChI InChI=1S/C23H25N7O2/c1-29-9-12-32-21-19(29)14-25-30-22(27-28-23(21)30)18-6-5-16-3-2-4-17(20(16)26-18)24-13-15-7-10-31-11-8-15/h2-6,14-15,24H,7-13H2,1H3
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n/an/an/an/a 325n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510189
PNG
(CHEMBL4573369)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NC(=O)C3CCNCC3)c2n1
Show InChI InChI=1S/C23H24N8O2/c1-30-11-12-33-20-18(30)13-25-31-21(28-29-22(20)31)17-6-5-14-3-2-4-16(19(14)26-17)27-23(32)15-7-9-24-10-8-15/h2-6,13,15,24H,7-12H2,1H3,(H,27,32)
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n/an/an/an/a 330n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364775
PNG
(CHEMBL1952137)
Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NC3CC4(C3)CCNCC4)nc12
Show InChI InChI=1S/C20H21F3N6/c21-20(22,23)13-2-1-3-15(10-13)29-18-16(27-28-29)4-5-17(26-18)25-14-11-19(12-14)6-8-24-9-7-19/h1-5,10,14,24H,6-9,11-12H2,(H,25,26)
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n/an/an/an/a 380n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364794
PNG
(CHEMBL1952132)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1 |r,wU:4.7,wD:1.0,(29.89,-28.84,;29.9,-27.3,;31.24,-26.54,;31.24,-24.99,;29.91,-24.22,;28.57,-24.99,;28.57,-26.53,;29.92,-22.68,;31.25,-21.91,;31.25,-20.37,;32.58,-19.6,;33.91,-20.36,;35.39,-19.88,;36.3,-21.14,;35.39,-22.39,;36.15,-23.72,;35.37,-25.05,;36.12,-26.39,;37.66,-26.4,;38.44,-25.07,;39.98,-25.07,;40.75,-26.41,;42.29,-26.41,;39.97,-27.74,;41.51,-27.73,;37.68,-23.73,;33.92,-21.91,;32.58,-22.68,)|
Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)28-14-3-1-2-12(10-14)26-17-15(24-25-26)8-9-16(23-17)22-11-4-6-13(27)7-5-11/h1-3,8-11,13,27H,4-7H2,(H,22,23)/t11-,13-
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n/an/an/an/a 405n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364779
PNG
(CHEMBL1952144)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2cc(Cl)c(NCC3CCNCC3)nc12
Show InChI InChI=1S/C18H18ClF3N6O/c19-14-9-15-17(25-16(14)24-10-11-4-6-23-7-5-11)28(27-26-15)12-2-1-3-13(8-12)29-18(20,21)22/h1-3,8-9,11,23H,4-7,10H2,(H,24,25)
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n/an/an/an/a 420n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510195
PNG
(CHEMBL4564783)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cc(F)cc(NCC3(F)CCNCC3)c2n1
Show InChI InChI=1S/C23H24F2N8O/c1-32-8-9-34-20-18(32)12-28-33-21(30-31-22(20)33)16-3-2-14-10-15(24)11-17(19(14)29-16)27-13-23(25)4-6-26-7-5-23/h2-3,10-12,26-27H,4-9,13H2,1H3
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n/an/an/an/a 465n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA


Eur J Med Chem 168: 87-109 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.022
BindingDB Entry DOI: 10.7270/Q2XW4P4J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364772
PNG
(CHEMBL1952133)
Show SMILES O[C@H]1CC[C@H](CC1)Nc1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1 |r,wD:4.7,1.0,(-8.42,-37.15,;-8.41,-35.61,;-7.08,-34.85,;-7.07,-33.3,;-8.4,-32.53,;-9.74,-33.3,;-9.74,-34.84,;-8.4,-30.99,;-7.06,-30.22,;-7.06,-28.68,;-5.73,-27.91,;-4.4,-28.67,;-2.92,-28.19,;-2.01,-29.45,;-2.92,-30.7,;-2.17,-32.04,;-2.95,-33.36,;-2.19,-34.7,;-.65,-34.71,;.13,-33.38,;1.67,-33.38,;2.43,-34.72,;3.97,-34.73,;1.66,-36.05,;3.2,-36.04,;-.63,-32.04,;-4.4,-30.22,;-5.73,-30.99,)|
Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)28-14-3-1-2-12(10-14)26-17-15(24-25-26)8-9-16(23-17)22-11-4-6-13(27)7-5-11/h1-3,8-11,13,27H,4-7H2,(H,22,23)/t11-,13+
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n/an/an/an/a 550n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364812
PNG
(CHEMBL1952125)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NC3CC4(C3)CCNCC4)nc12
Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)30-15-3-1-2-14(10-15)29-18-16(27-28-29)4-5-17(26-18)25-13-11-19(12-13)6-8-24-9-7-19/h1-5,10,13,24H,6-9,11-12H2,(H,25,26)
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n/an/an/an/a 590n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364811
PNG
(CHEMBL1952121)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NC3CCNCC3)nc12
Show InChI InChI=1S/C17H17F3N6O/c18-17(19,20)27-13-3-1-2-12(10-13)26-16-14(24-25-26)4-5-15(23-16)22-11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2,(H,22,23)
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n/an/an/an/a 700n/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum


Bioorg Med Chem Lett 22: 1591-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.130
BindingDB Entry DOI: 10.7270/Q21R6QZ1
More data for this
Ligand-Target Pair
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