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Compile Data Set for Download or QSAR

Found 41 hits of ec50 for UniProtKB: A0A024RD25   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
3D
3D Structure (crystal)
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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n/an/an/an/a 48n/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))
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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n/an/an/an/a 70n/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))
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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n/an/an/an/a 70n/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
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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n/an/an/an/a 71n/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
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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n/an/an/an/a 110n/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
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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n/an/an/an/a 140n/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))
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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n/an/an/an/a 155n/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
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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n/an/an/an/a 179n/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
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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n/an/an/an/a 200n/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
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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n/an/an/an/a 200n/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
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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n/an/an/an/a 200n/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))
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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n/an/an/an/a 212n/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
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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n/an/an/an/a 215n/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
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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n/an/an/an/a 220n/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
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
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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n/an/an/an/a 265n/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
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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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
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
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
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
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
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
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
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))
BDBM50510186
PNG
(CHEMBL4577938)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1
Show InChI InChI=1S/C23H26N8O/c1-30-11-12-32-21-19(30)14-26-31-22(28-29-23(21)31)18-6-5-16-3-2-4-17(20(16)27-18)25-13-15-7-9-24-10-8-15/h2-6,14-15,24-25H,7-13H2,1H3
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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 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
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364813
PNG
(CHEMBL1952126)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)31-16-3-1-2-15(10-16)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)
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n/an/an/an/a 740n/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))
BDBM50510171
PNG
(CHEMBL4446938)
Show SMILES CCN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1
Show InChI InChI=1S/C24H28N8O/c1-2-31-12-13-33-22-20(31)15-27-32-23(29-30-24(22)32)19-7-6-17-4-3-5-18(21(17)28-19)26-14-16-8-10-25-11-9-16/h3-7,15-16,25-26H,2,8-14H2,1H3
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n/an/an/an/a 780n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510166
PNG
(CHEMBL4517926)
Show SMILES CCCN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1
Show InChI InChI=1S/C25H30N8O/c1-2-12-32-13-14-34-23-21(32)16-28-33-24(30-31-25(23)33)20-7-6-18-4-3-5-19(22(18)29-20)27-15-17-8-10-26-11-9-17/h3-7,16-17,26-27H,2,8-15H2,1H3
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n/an/an/an/a 800n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50364774
PNG
(CHEMBL1952136)
Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12
Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)15-2-1-3-16(10-15)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27)
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n/an/an/an/a 810n/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))
BDBM50510184
PNG
(CHEMBL4440880)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2c1
Show InChI InChI=1S/C24H27N7O/c1-30-11-12-32-22-21(30)15-27-31-23(28-29-24(22)31)18-6-5-17-3-2-4-20(19(17)13-18)26-14-16-7-9-25-10-8-16/h2-6,13,15-16,25-26H,7-12,14H2,1H3
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n/an/an/an/a 865n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510162
PNG
(CHEMBL4567516)
Show SMILES CC(C)N1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1
Show InChI InChI=1S/C25H30N8O/c1-16(2)32-12-13-34-23-21(32)15-28-33-24(30-31-25(23)33)20-7-6-18-4-3-5-19(22(18)29-20)27-14-17-8-10-26-11-9-17/h3-7,15-17,26-27H,8-14H2,1-2H3
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n/an/an/an/a 915n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510169
PNG
(CHEMBL4584365)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NC3CCNCC3)c2n1
Show InChI InChI=1S/C22H24N8O/c1-29-11-12-31-20-18(29)13-24-30-21(27-28-22(20)30)17-6-5-14-3-2-4-16(19(14)26-17)25-15-7-9-23-10-8-15/h2-6,13,15,23,25H,7-12H2,1H3
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n/an/an/an/a 1.38E+3n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510188
PNG
(CHEMBL4467003)
Show SMILES C(CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1)Oc1ccccc1
Show InChI InChI=1S/C30H32N8O2/c1-2-6-23(7-3-1)39-17-15-37-16-18-40-28-26(37)20-33-38-29(35-36-30(28)38)25-10-9-22-5-4-8-24(27(22)34-25)32-19-21-11-13-31-14-12-21/h1-10,20-21,31-32H,11-19H2
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n/an/an/an/a 2.02E+3n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510167
PNG
(CHEMBL4555990)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NCC3CCNCC3)c2c1
Show InChI InChI=1S/C23H26N8O/c1-30-10-11-32-20-19(30)14-27-31-22(28-29-23(20)31)17-3-2-16-6-9-25-21(18(16)12-17)26-13-15-4-7-24-8-5-15/h2-3,6,9,12,14-15,24H,4-5,7-8,10-11,13H2,1H3,(H,25,26)
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n/an/an/an/a 2.51E+3n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510187
PNG
(CHEMBL4521605)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(N3CCC(N)CC3)c2n1
Show InChI InChI=1S/C22H24N8O/c1-28-11-12-31-20-18(28)13-24-30-21(26-27-22(20)30)16-6-5-14-3-2-4-17(19(14)25-16)29-9-7-15(23)8-10-29/h2-6,13,15H,7-12,23H2,1H3
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n/an/an/an/a 5.31E+3n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510177
PNG
(CHEMBL4561045)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(N3CCNCC3)c2n1
Show InChI InChI=1S/C21H22N8O/c1-27-11-12-30-19-17(27)13-23-29-20(25-26-21(19)29)15-6-5-14-3-2-4-16(18(14)24-15)28-9-7-22-8-10-28/h2-6,13,22H,7-12H2,1H3
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n/an/an/an/a 5.36E+3n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50510191
PNG
(CHEMBL4455041)
Show SMILES CN1CCOc2c1cnn1c(nnc21)-c1ccc2cc(C)cc(NCC3(F)CCNCC3)c2n1
Show InChI InChI=1S/C24H27FN8O/c1-15-11-16-3-4-17(29-20(16)18(12-15)27-14-24(25)5-7-26-8-6-24)22-30-31-23-21-19(13-28-33(22)23)32(2)9-10-34-21/h3-4,11-13,26-27H,5-10,14H2,1-2H3
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n/an/an/an/a 5.96E+3n/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
More data for this
Ligand-Target Pair