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Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'ajenjo' and Initial = 'n'   
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))
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/a 0.800n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(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/a 1n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 1.5n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 2.5n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(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/a 4n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 5n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


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



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


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



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 7n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(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 7n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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 7n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 9n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(Homo sapiens (Human))
BDBM50364823
PNG
(CHEMBL1952124)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(nc12)N1CC2(C1)CCNCC2
Show InChI InChI=1S/C19H19F3N6O/c20-19(21,22)29-14-3-1-2-13(10-14)28-17-15(25-26-28)4-5-16(24-17)27-11-18(12-27)6-8-23-9-7-18/h1-5,10,23H,6-9,11-12H2
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n/an/a 10n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 11n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 11n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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
Tyrosine-protein kinase receptor FLT3


(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/a 12n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of FLT3


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


(Homo sapiens (Human))
BDBM50364799
PNG
(CHEMBL1952145)
Show SMILES C(Cc1ccccc1)Nc1ccc2nnc(-c3ccccc3)n2n1
Show InChI InChI=1S/C19H17N5/c1-3-7-15(8-4-1)13-14-20-17-11-12-18-21-22-19(24(18)23-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,23)
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n/an/a 14n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(Homo sapiens (Human))
BDBM50364795
PNG
(CHEMBL1952135)
Show SMILES FC(F)(F)c1cccc(c1)-n1nnc2ccc(NCC3CCNCC3)nc12
Show InChI InChI=1S/C18H19F3N6/c19-18(20,21)13-2-1-3-14(10-13)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/a 14n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 14n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 16n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(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/a 17n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 18n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(Homo sapiens (Human))
BDBM50364809
PNG
(CHEMBL1952331)
Show SMILES CCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C21H24F3N5O/c1-2-28-10-8-15(9-11-28)13-25-19-6-7-20-26-14-18(29(20)27-19)16-4-3-5-17(12-16)30-21(22,23)24/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,25,27)
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n/an/a 18n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 23n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(Homo sapiens (Human))
BDBM50364804
PNG
(CHEMBL1952326)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cnc2ccc(NCCc3cccnc3)nn12
Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)29-16-5-1-4-15(11-16)17-13-26-19-7-6-18(27-28(17)19)25-10-8-14-3-2-9-24-12-14/h1-7,9,11-13H,8,10H2,(H,25,27)
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n/an/a 25n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 27n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 28n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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
Tyrosine-protein kinase receptor FLT3


(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/a 28n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of FLT3


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


(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/a 29n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM2


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


(Homo sapiens (Human))
BDBM50364814
PNG
(CHEMBL1952114)
Show SMILES CCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
Show InChI InChI=1S/C20H23F3N6O/c1-2-28-10-8-14(9-11-28)13-24-18-7-6-17-19(25-18)29(27-26-17)15-4-3-5-16(12-15)30-20(21,22)23/h3-7,12,14H,2,8-11,13H2,1H3,(H,24,25)
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n/an/a 35n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 38n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 40n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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
Tyrosine-protein kinase receptor FLT3


(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 44n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of FLT3


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


(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/a 55n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(Homo sapiens (Human))
BDBM50364803
PNG
(CHEMBL1952325 | US10047093, 8-12 | US9416132, 8-12)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12
Show InChI InChI=1S/C18H17F3N4O2/c19-18(20,21)27-14-3-1-2-12(10-14)15-11-22-17-5-4-16(24-25(15)17)23-13-6-8-26-9-7-13/h1-5,10-11,13H,6-9H2,(H,23,24)
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n/an/a 57n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(Homo sapiens (Human))
BDBM50364801
PNG
(CHEMBL1952147)
Show SMILES NS(=O)(=O)c1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1
Show InChI InChI=1S/C19H18N6O2S/c20-28(26,27)16-8-6-14(7-9-16)12-13-21-17-10-11-18-22-23-19(25(18)24-17)15-4-2-1-3-5-15/h1-11H,12-13H2,(H,21,24)(H2,20,26,27)
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n/an/a 65n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 66n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(Homo sapiens (Human))
BDBM50364824
PNG
(CHEMBL1952127)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(nc12)N1CCC2(C1)CCNCC2
Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)30-15-3-1-2-14(12-15)29-18-16(26-27-29)4-5-17(25-18)28-11-8-19(13-28)6-9-24-10-7-19/h1-5,12,24H,6-11,13H2
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n/an/a 68n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 69n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM2


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


(Homo sapiens (Human))
BDBM50364787
PNG
(CHEMBL1952107)
Show SMILES Oc1ccc(cc1)-n1nnc2ccc(NCc3ccc(F)cc3)nc12
Show InChI InChI=1S/C18H14FN5O/c19-13-3-1-12(2-4-13)11-20-17-10-9-16-18(21-17)24(23-22-16)14-5-7-15(25)8-6-14/h1-10,25H,11H2,(H,20,21)
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n/an/a 69n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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 69n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(Homo sapiens (Human))
BDBM50364815
PNG
(CHEMBL1952115)
Show SMILES CC(C)N1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
Show InChI InChI=1S/C21H25F3N6O/c1-14(2)29-10-8-15(9-11-29)13-25-19-7-6-18-20(26-19)30(28-27-18)16-4-3-5-17(12-16)31-21(22,23)24/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,25,26)
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n/an/a 77n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(Homo sapiens (Human))
BDBM50364810
PNG
(CHEMBL1952332)
Show SMILES CC(C)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C22H26F3N5O/c1-15(2)29-10-8-16(9-11-29)13-26-20-6-7-21-27-14-19(30(21)28-20)17-4-3-5-18(12-17)31-22(23,24)25/h3-7,12,14-16H,8-11,13H2,1-2H3,(H,26,28)
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n/an/a 79n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(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/a 83n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM3


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


(Homo sapiens (Human))
BDBM50364821
PNG
(CHEMBL1952122)
Show SMILES CNC1CCN(CC1)c1ccc2nnn(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C18H19F3N6O/c1-22-12-7-9-26(10-8-12)16-6-5-15-17(23-16)27(25-24-15)13-3-2-4-14(11-13)28-18(19,20)21/h2-6,11-12,22H,7-10H2,1H3
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n/an/a 87n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(Homo sapiens (Human))
BDBM50364800
PNG
(CHEMBL1952146)
Show SMILES Fc1ccc(cc1)-c1nnc2ccc(nn12)N1CCCCCC1
Show InChI InChI=1S/C17H18FN5/c18-14-7-5-13(6-8-14)17-20-19-15-9-10-16(21-23(15)17)22-11-3-1-2-4-12-22/h5-10H,1-4,11-12H2
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n/an/a 96n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(Homo sapiens (Human))
BDBM50364826
PNG
(CHEMBL1952129)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(nc12)N1CCC2(CCNC2)CC1
Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)30-15-3-1-2-14(12-15)29-18-16(26-27-29)4-5-17(25-18)28-10-7-19(8-11-28)6-9-24-13-19/h1-5,12,24H,6-11,13H2
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n/an/a 108n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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
Tyrosine-protein kinase receptor FLT3


(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/a 125n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of FLT3


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


(Homo sapiens (Human))
BDBM50364825
PNG
(CHEMBL1952128)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(nc12)N1CC2CNCC2C1
Show InChI InChI=1S/C18H17F3N6O/c19-18(20,21)28-14-3-1-2-13(6-14)27-17-15(24-25-27)4-5-16(23-17)26-9-11-7-22-8-12(11)10-26/h1-6,11-12,22H,7-10H2
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n/an/a 126n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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


(Homo sapiens (Human))
BDBM50364808
PNG
(CHEMBL1952330)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cnc2ccc(NCC3CCNCC3)nn12
Show InChI InChI=1S/C19H20F3N5O/c20-19(21,22)28-15-3-1-2-14(10-15)16-12-25-18-5-4-17(26-27(16)18)24-11-13-6-8-23-9-7-13/h1-5,10,12-13,23H,6-9,11H2,(H,24,26)
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n/an/a 127n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of PIM1


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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