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Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50000390   
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))
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))
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-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))
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
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))
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))
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



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))
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))
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))
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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PubMed
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))
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))
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))
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))
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))
BDBM50248902
PNG
(CHEMBL4087384)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc(\C=C2/SC(=S)NC2=O)cs1
Show InChI InChI=1S/C14H7F3N2OS3/c15-14(16,17)8-3-1-2-7(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 49n/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))
BDBM50248872
PNG
(CHEMBL4081138)
Show SMILES O=C1NC(=S)S\C1=C/c1csc2ccccc12
Show InChI InChI=1S/C12H7NOS3/c14-11-10(17-12(15)13-11)5-7-6-16-9-4-2-1-3-8(7)9/h1-6H,(H,13,14,15)/b10-5-
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n/an/a 55n/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))
BDBM50248868
PNG
(CHEMBL4091496)
Show SMILES O=C1NC(=S)S\C1=C/c1ccc2ccccc2n1
Show InChI InChI=1S/C13H8N2OS2/c16-12-11(18-13(17)15-12)7-9-6-5-8-3-1-2-4-10(8)14-9/h1-7H,(H,15,16,17)/b11-7-
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n/an/a 55n/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))
BDBM50274894
PNG
((Z)-5-(Naphthalen-1'-ylmethylene)-2-thioxothiazoli...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cccc2ccccc12 |w:7.8,t:1|
Show InChI InChI=1S/C14H9NOS2/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,16,17)
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n/an/a 62n/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))
BDBM50248870
PNG
(CHEMBL1917016)
Show SMILES O=C1NC(=S)S\C1=C/c1cc2ccccc2o1
Show InChI InChI=1S/C12H7NO2S2/c14-11-10(17-12(16)13-11)6-8-5-7-3-1-2-4-9(7)15-8/h1-6H,(H,13,14,16)/b10-6-
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n/an/a 67n/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))
BDBM50248871
PNG
(CHEMBL4091435)
Show SMILES O=C1NC(=S)S\C1=C/c1cccc2ccsc12
Show InChI InChI=1S/C12H7NOS3/c14-11-9(17-12(15)13-11)6-8-3-1-2-7-4-5-16-10(7)8/h1-6H,(H,13,14,15)/b9-6-
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n/an/a 68n/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))
BDBM50248834
PNG
(CHEMBL4064860)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(\C=C2/SC(=N)NC2=O)cs1
Show InChI InChI=1S/C14H8F3N3OS2/c15-14(16,17)8-3-1-7(2-4-8)12-19-9(6-22-12)5-10-11(21)20-13(18)23-10/h1-6H,(H2,18,20,21)/b10-5-
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n/an/a 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))
BDBM50248861
PNG
(CHEMBL4078347)
Show SMILES O=C1NC(=S)S\C1=C/c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C12H7N3OS3/c16-10-9(19-12(17)15-10)4-8-6-18-11(14-8)7-2-1-3-13-5-7/h1-6H,(H,15,16,17)/b9-4-
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n/an/a 85n/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))
BDBM50248842
PNG
(CHEMBL4060990)
Show SMILES Clc1cc2N(Cc3ccccc3)C3C(C=C4N(C(=S)NC4=O)C3=O)c2c(Cl)c1 |c:15|
Show InChI InChI=1S/C20H13Cl2N3O2S/c21-11-6-13(22)16-12-8-15-18(26)23-20(28)25(15)19(27)17(12)24(14(16)7-11)9-10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,23,26,28)
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n/an/a 100n/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))
BDBM50248876
PNG
(CHEMBL4100024)
Show SMILES O=C1NC(=S)n2c1cc1ccc(cc1c2=O)-c1ccco1
Show InChI InChI=1S/C15H8N2O3S/c18-13-11-7-8-3-4-9(12-2-1-5-20-12)6-10(8)14(19)17(11)15(21)16-13/h1-7H,(H,16,18,21)
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n/an/a 107n/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))
BDBM50274891
PNG
((Z)-5-(Naphthalen-2'-ylmethylene)-2-thioxothiazoli...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc2ccccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C14H9NOS2/c16-13-12(18-14(17)15-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H,15,16,17)
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n/an/a 113n/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))
BDBM50248911
PNG
(CHEMBL2062727)
Show SMILES O=C1NC(=S)S\C1=C/c1cnc2ccccc2n1
Show InChI InChI=1S/C12H7N3OS2/c16-11-10(18-12(17)15-11)5-7-6-13-8-3-1-2-4-9(8)14-7/h1-6H,(H,15,16,17)/b10-5-
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n/an/a 126n/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))
BDBM50248836
PNG
(CHEMBL4076977)
Show SMILES O=C1NC(=S)n2c1cc1ccc(Sc3ccccc3)cc1c2=O
Show InChI InChI=1S/C17H10N2O2S2/c20-15-14-8-10-6-7-12(23-11-4-2-1-3-5-11)9-13(10)16(21)19(14)17(22)18-15/h1-9H,(H,18,20,22)
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n/an/a 127n/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))
BDBM50248840
PNG
(CHEMBL4096175)
Show SMILES Clc1cc2NC3C(C=C4N(C(=S)NC4=O)C3=O)c2c(Cl)c1 |c:7|
Show InChI InChI=1S/C13H7Cl2N3O2S/c14-4-1-6(15)9-5-3-8-11(19)17-13(21)18(8)12(20)10(5)16-7(9)2-4/h1-3,5,10,16H,(H,17,19,21)
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n/an/a 131n/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))
BDBM50248912
PNG
(CHEMBL4069325)
Show SMILES O=C1NC(=S)S\C1=C/c1coc2ccccc12
Show InChI InChI=1S/C12H7NO2S2/c14-11-10(17-12(16)13-11)5-7-6-15-9-4-2-1-3-8(7)9/h1-6H,(H,13,14,16)/b10-5-
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n/an/a 156n/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))
BDBM50248835
PNG
(CHEMBL4077170)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(\C=C2/SC(=O)NC2=O)cs1
Show InChI InChI=1S/C14H7F3N2O2S2/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 171n/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))
BDBM50248867
PNG
(CHEMBL4099230)
Show SMILES O=C1NC(=S)S\C1=C/c1c[nH]c2ncccc12
Show InChI InChI=1S/C11H7N3OS2/c15-10-8(17-11(16)14-10)4-6-5-13-9-7(6)2-1-3-12-9/h1-5H,(H,12,13)(H,14,15,16)/b8-4-
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n/an/a 175n/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))
BDBM50248869
PNG
(CHEMBL1917018)
Show SMILES O=C1NC(=S)S\C1=C/c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H8N2OS2/c15-11-10(17-12(16)14-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,13H,(H,14,15,16)/b10-5-
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n/an/a 184n/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))
BDBM50248917
PNG
(CHEMBL4082012)
Show SMILES O=C1NC(=S)n2c1cc1ccc(Oc3ccccc3)cc1c2=O
Show InChI InChI=1S/C17H10N2O3S/c20-15-14-8-10-6-7-12(22-11-4-2-1-3-5-11)9-13(10)16(21)19(14)17(23)18-15/h1-9H,(H,18,20,23)
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n/an/a 267n/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))
BDBM50248841
PNG
(CHEMBL4069868)
Show SMILES O=C1NC(=S)N2C1=CC1C(Nc3ccccc13)C2=O |t:7|
Show InChI InChI=1S/C13H9N3O2S/c17-11-9-5-7-6-3-1-2-4-8(6)14-10(7)12(18)16(9)13(19)15-11/h1-5,7,10,14H,(H,15,17,19)
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n/an/a 273n/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))
BDBM50248837
PNG
(CHEMBL4097969)
Show SMILES Fc1ccc(Oc2ccc3cc4C(=O)NC(=S)n4c(=O)c3c2)cc1
Show InChI InChI=1S/C17H9FN2O3S/c18-10-2-5-11(6-3-10)23-12-4-1-9-7-14-15(21)19-17(24)20(14)16(22)13(9)8-12/h1-8H,(H,19,21,24)
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n/an/a 304n/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))
BDBM50248875
PNG
(CHEMBL4068388)
Show SMILES Clc1ccccc1\C=C1/SC(=S)NC1=O
Show InChI InChI=1S/C10H6ClNOS2/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
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n/an/a 320n/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))
BDBM50248839
PNG
(CHEMBL4069709)
Show SMILES COc1ccc(Oc2ccc3cc4C(=O)NC(=S)n4c(=O)c3c2)cc1
Show InChI InChI=1S/C18H12N2O4S/c1-23-11-4-6-12(7-5-11)24-13-3-2-10-8-15-16(21)19-18(25)20(15)17(22)14(10)9-13/h2-9H,1H3,(H,19,21,25)
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n/an/a 332n/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))
BDBM50248838
PNG
(CHEMBL4071706)
Show SMILES Cc1ccc(Sc2ccc3cc4C(=O)NC(=S)n4c(=O)c3c2)cc1
Show InChI InChI=1S/C18H12N2O2S2/c1-10-2-5-12(6-3-10)24-13-7-4-11-8-15-16(21)19-18(23)20(15)17(22)14(11)9-13/h2-9H,1H3,(H,19,21,23)
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n/an/a 335n/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))
BDBM50248916
PNG
(CHEMBL1957779)
Show SMILES O=C1NC(=S)S\C1=C/c1cccs1
Show InChI InChI=1S/C8H5NOS3/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-
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n/an/a 458n/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
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