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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'quevedo' and Initial = 'ce'   
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


(Homo sapiens (Human))
BDBM50552190
PNG
(CHEMBL4741714)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccccc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,1.0,3.3,(34.39,-20.74,;33.06,-21.51,;31.73,-20.73,;30.39,-21.51,;29.06,-20.73,;30.39,-23.05,;31.72,-23.81,;33.06,-23.04,;31.73,-25.34,;30.4,-26.11,;30.4,-27.66,;31.73,-28.42,;33.07,-27.65,;33.07,-26.11,;34.4,-25.33,;35.74,-26.1,;35.74,-27.63,;37.07,-25.32,;38.4,-26.09,;39.72,-25.31,;39.72,-23.77,;41.05,-23,;38.38,-23.01,;37.05,-23.79,;38.36,-21.48,;39.69,-20.7,;41.03,-21.46,;39.68,-19.16,;38.34,-18.4,;37.02,-19.19,;37.03,-20.72,;35.71,-21.51,)|
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n/an/a 0.00600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50552190
PNG
(CHEMBL4741714)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccccc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,1.0,3.3,(34.39,-20.74,;33.06,-21.51,;31.73,-20.73,;30.39,-21.51,;29.06,-20.73,;30.39,-23.05,;31.72,-23.81,;33.06,-23.04,;31.73,-25.34,;30.4,-26.11,;30.4,-27.66,;31.73,-28.42,;33.07,-27.65,;33.07,-26.11,;34.4,-25.33,;35.74,-26.1,;35.74,-27.63,;37.07,-25.32,;38.4,-26.09,;39.72,-25.31,;39.72,-23.77,;41.05,-23,;38.38,-23.01,;37.05,-23.79,;38.36,-21.48,;39.69,-20.7,;41.03,-21.46,;39.68,-19.16,;38.34,-18.4,;37.02,-19.19,;37.03,-20.72,;35.71,-21.51,)|
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n/an/a 0.00900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50552190
PNG
(CHEMBL4741714)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccccc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,1.0,3.3,(34.39,-20.74,;33.06,-21.51,;31.73,-20.73,;30.39,-21.51,;29.06,-20.73,;30.39,-23.05,;31.72,-23.81,;33.06,-23.04,;31.73,-25.34,;30.4,-26.11,;30.4,-27.66,;31.73,-28.42,;33.07,-27.65,;33.07,-26.11,;34.4,-25.33,;35.74,-26.1,;35.74,-27.63,;37.07,-25.32,;38.4,-26.09,;39.72,-25.31,;39.72,-23.77,;41.05,-23,;38.38,-23.01,;37.05,-23.79,;38.36,-21.48,;39.69,-20.7,;41.03,-21.46,;39.68,-19.16,;38.34,-18.4,;37.02,-19.19,;37.03,-20.72,;35.71,-21.51,)|
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n/an/a 0.0180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using full-length BAD as substrate


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552189
PNG
(CHEMBL4793492)
Show SMILES N[C@H]1CCCN(C1)c1c(\C=C2/SC(=O)NC2=O)cccc1-c1ccccc1 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PIM1 using full length BAD peptide substrate in presence of ATP at Km concentration


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248903
PNG
(CHEMBL4060012)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C17H17N5OS3/c1-21-4-6-22(7-5-21)14-8-11(2-3-18-14)16-19-12(10-25-16)9-13-15(23)20-17(24)26-13/h2-3,8-10H,4-7H2,1H3,(H,20,23,24)/b13-9-
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n/an/a 1.40n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using full-length BAD as substrate


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50552189
PNG
(CHEMBL4793492)
Show SMILES N[C@H]1CCCN(C1)c1c(\C=C2/SC(=O)NC2=O)cccc1-c1ccccc1 |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PIM3 using full length BAD peptide substrate in presence of ATP at Km concentration


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248920
PNG
(CHEMBL4079975)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C15H14N4O3S4/c1-19(2)26(21,22)18-10-5-3-4-9(6-10)14-16-11(8-24-14)7-12-13(20)17-15(23)25-12/h3-8,18H,1-2H3,(H,17,20,23)/b12-7-
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n/an/a 2.20n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248897
PNG
(CHEMBL4061984)
Show SMILES Oc1ccc(cc1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C13H8N2O2S3/c16-9-3-1-7(2-4-9)12-14-8(6-19-12)5-10-11(17)15-13(18)20-10/h1-6,16H,(H,15,17,18)/b10-5-
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n/an/a 2.40n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248893
PNG
(CHEMBL4104431)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C14H7F3N2O2S3/c15-14(16,17)21-9-3-1-7(2-4-9)12-18-8(6-23-12)5-10-11(20)19-13(22)24-10/h1-6H,(H,19,20,22)/b10-5-
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n/an/a 2.90n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248921
PNG
(CHEMBL4096030)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C14H10N2O3S4/c1-23(18,19)10-4-2-8(3-5-10)13-15-9(7-21-13)6-11-12(17)16-14(20)22-11/h2-7H,1H3,(H,16,17,20)/b11-6-
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n/an/a 3.60n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552147
PNG
(CHEMBL4794742)
Show SMILES OCCN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccccc2O)CC1 |t:9|
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n/an/a 4.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r|
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of P13Kalpha (unknown origin)


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50387298
PNG
(CHEMBL2048872)
Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14|
Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PIM2 using full-length BAD as substrate


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248898
PNG
(CHEMBL4083726)
Show SMILES Oc1cccc(c1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C13H8N2O2S3/c16-9-3-1-2-7(4-9)12-14-8(6-19-12)5-10-11(17)15-13(18)20-10/h1-6,16H,(H,15,17,18)/b10-5-
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n/an/a 5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50552189
PNG
(CHEMBL4793492)
Show SMILES N[C@H]1CCCN(C1)c1c(\C=C2/SC(=O)NC2=O)cccc1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of human PIM2 using full length BAD peptide substrate in presence of ATP at Km concentration


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552146
PNG
(CHEMBL4747343)
Show SMILES OC[C@H]1CCC[C@@H]1NC1=NC(=O)\C(S1)=C\c1csc(n1)-c1cccc(F)c1O |r,t:9|
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248863
PNG
(CHEMBL4087322)
Show SMILES O=C1NC(=S)S\C1=C/c1csc(n1)-c1ccco1
Show InChI InChI=1S/C11H6N2O2S3/c14-9-8(18-11(16)13-9)4-6-5-17-10(12-6)7-2-1-3-15-7/h1-5H,(H,13,14,16)/b8-4-
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n/an/a 6.70n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248904
PNG
(CHEMBL4069560)
Show SMILES O=C1NC(=S)S\C1=C/c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C13H8N2OS3/c16-11-10(19-13(17)15-11)6-9-7-18-12(14-9)8-4-2-1-3-5-8/h1-7H,(H,15,16,17)/b10-6-
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n/an/a 6.70n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248892
PNG
(CHEMBL4074078)
Show SMILES O=C1NC(=S)S\C1=C/c1csc(n1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C19H19N3OS3/c23-17-16(26-19(24)21-17)10-15-12-25-18(20-15)14-6-4-13(5-7-14)11-22-8-2-1-3-9-22/h4-7,10,12H,1-3,8-9,11H2,(H,21,23,24)/b16-10-
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n/an/a 6.80n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552149
PNG
(CHEMBL4778893)
Show SMILES CC(C)(CO)CNC1=NC(=O)\C(S1)=C\c1csc(n1)-c1cc(F)ccc1O |t:7|
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n/an/a 6.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248894
PNG
(CHEMBL4060062)
Show SMILES O=C1NC(=S)S\C1=C/c1csc(n1)-c1cccc(c1)N1CCCCC1
Show InChI InChI=1S/C18H17N3OS3/c22-16-15(25-18(23)20-16)10-13-11-24-17(19-13)12-5-4-6-14(9-12)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,20,22,23)/b15-10-
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n/an/a 7n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
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/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged PIM1 expressed in Escherichia coli using KKRNRTLTV as substrate incubated for 40 mi...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
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/a 7n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged PIM1 expressed in Escherichia coli using LKKRNRTLTV as substrate measured after 40 ...


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248899
PNG
(CHEMBL4069566)
Show SMILES Oc1ccccc1-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C13H8N2O2S3/c16-9-4-2-1-3-8(9)12-14-7(6-19-12)5-10-11(17)15-13(18)20-10/h1-6,16H,(H,15,17,18)/b10-5-
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n/an/a 8n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552171
PNG
(CHEMBL4757567)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PIM1


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248860
PNG
(CHEMBL4077499)
Show SMILES FC(F)(F)c1ccccc1-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C14H7F3N2OS3/c15-14(16,17)9-4-2-1-3-8(9)12-18-7(6-22-12)5-10-11(20)19-13(21)23-10/h1-6H,(H,19,20,21)/b10-5-
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n/an/a 9.20n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552173
PNG
(CHEMBL4788212)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccccc2O)CC1 |t:7|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248901
PNG
(CHEMBL4075979)
Show SMILES COc1ccccc1-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C14H10N2O2S3/c1-18-10-5-3-2-4-9(10)13-15-8(7-20-13)6-11-12(17)16-14(19)21-11/h2-7H,1H3,(H,16,17,19)/b11-6-
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n/an/a 11n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248922
PNG
(CHEMBL4077328)
Show SMILES COc1ccc(cc1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C14H10N2O2S3/c1-18-10-4-2-8(3-5-10)13-15-9(7-20-13)6-11-12(17)16-14(19)21-11/h2-7H,1H3,(H,16,17,19)/b11-6-
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n/an/a 11n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552150
PNG
(CHEMBL4797284)
Show SMILES CC(C)[C@@H]1CC[C@@H](CO)[C@H]1NC1=NC(=O)\C(S1)=C\c1csc(n1)-c1ccccc1O |r,t:12|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552153
PNG
(CHEMBL4794863)
Show SMILES OCC1(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccccc2O)CCC1 |t:5|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552155
PNG
(CHEMBL4777003)
Show SMILES CC(C)(CO)CNC1=NC(=O)\C(S1)=C\c1csc(n1)-c1ccccc1O |t:7|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248923
PNG
(CHEMBL4075290)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C14H7F3N2OS3/c15-14(16,17)8-3-1-7(2-4-8)12-18-9(6-22-12)5-10-11(20)19-13(21)23-10/h1-6H,(H,19,20,21)/b10-5-
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n/an/a 16n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552154
PNG
(CHEMBL4798741)
Show SMILES OCC1(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccccc2O)CC1 |t:5|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552178
PNG
(CHEMBL4758677)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(cc2)C(F)(F)F)CC1 |t:7|
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248900
PNG
(CHEMBL4075977)
Show SMILES COc1cccc(c1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C14H10N2O2S3/c1-18-10-4-2-3-8(5-10)13-15-9(7-20-13)6-11-12(17)16-14(19)21-11/h2-7H,1H3,(H,16,17,19)/b11-6-
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n/an/a 21n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552171
PNG
(CHEMBL4757567)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:7|
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552157
PNG
(CHEMBL4786077)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1nc(\C=C2/SC(NCC(C)(C)CO)=NC2=O)cs1 |c:27|
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552163
PNG
(CHEMBL4783270)
Show SMILES CN(c1cccc(c1)-c1nc(\C=C2/SC(NCC3CCN(C)CC3)=NC2=O)cs1)S(C)(=O)=O |c:25|
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248864
PNG
(CHEMBL4090574)
Show SMILES O=C1NC(=S)S\C1=C/c1csc(n1)-c1ccsc1
Show InChI InChI=1S/C11H6N2OS4/c14-9-8(18-11(15)13-9)3-7-5-17-10(12-7)6-1-2-16-4-6/h1-5H,(H,13,14,15)/b8-3-
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n/an/a 25n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248895
PNG
(CHEMBL4088298)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C14H11N3O3S4/c1-24(19,20)17-9-4-2-3-8(5-9)13-15-10(7-22-13)6-11-12(18)16-14(21)23-11/h2-7,17H,1H3,(H,16,18,21)/b11-6-
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n/an/a 25n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552152
PNG
(CHEMBL4783323)
Show SMILES CN1CCC(O)(CNC2=NC(=O)\C(S2)=C\c2csc(n2)-c2ccc(OC(F)(F)F)cc2)CC1 |t:8|
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552184
PNG
(CHEMBL4751389)
Show SMILES Oc1ccc(CCNC2=NC(=O)\C(S2)=C\c2ccc(o2)-c2cccc(Cl)c2)cc1 |t:8|
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248865
PNG
(CHEMBL4069055)
Show SMILES Cn1c(\C=C2/SC(=S)NC2=O)cc2sccc12
Show InChI InChI=1S/C11H8N2OS3/c1-13-6(4-8-7(13)2-3-16-8)5-9-10(14)12-11(15)17-9/h2-5H,1H3,(H,12,14,15)/b9-5-
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n/an/a 36n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50248896
PNG
(CHEMBL4068718)
Show SMILES Clc1cccc(c1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C13H7ClN2OS3/c14-8-3-1-2-7(4-8)12-15-9(6-19-12)5-10-11(17)16-13(18)20-10/h1-6H,(H,16,17,18)/b10-5-
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n/an/a 36n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay


Bioorg Med Chem 25: 2657-2665 (2017)


Article DOI: 10.1016/j.bmc.2017.02.056
BindingDB Entry DOI: 10.7270/Q2CV4M5V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552185
PNG
(CHEMBL4781049)
Show SMILES CN1CCC(CNC2=NC(=O)\C(S2)=C\c2ccc(o2)-c2cccc(Cl)c2)CC1 |t:7|
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552151
PNG
(CHEMBL4763088)
Show SMILES CC(C)(CO)CNC1=NC(=O)\C(S1)=C\c1csc(n1)-c1cccc(F)c1O |t:7|
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50552172
PNG
(CHEMBL4742215)
Show SMILES NC1=NC(=O)\C(S1)=C\c1csc(n1)-c1ccc(OC(F)(F)F)cc1 |t:1|
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin) by coupled kinetic assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115724
BindingDB Entry DOI: 10.7270/Q2PC3607
More data for this
Ligand-Target Pair
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