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PubMed code 21366329

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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 PLK1


(Homo sapiens (human))
BDBM28216
PNG
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
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n/an/a<9n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339798
PNG
((+/-)-5-(1H-Benzo[d]imidazol-1-yl)-3-(1-(2-(triflu...)
Show SMILES CC(Oc1cc(sc1C(N)=O)-n1cnc2ccccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O2S/c1-12(13-6-2-3-7-14(13)21(22,23)24)29-17-10-18(30-19(17)20(25)28)27-11-26-15-8-4-5-9-16(15)27/h2-12H,1H3,(H2,25,28)
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n/an/a<9n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339795
PNG
(5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidaz...)
Show SMILES CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
Show InChI InChI=1S/C26H25F3N4O3S/c1-32-10-8-17(9-11-32)36-18-6-7-20-21(12-18)33(15-31-20)23-13-22(24(37-23)25(30)34)35-14-16-4-2-3-5-19(16)26(27,28)29/h2-7,12-13,15,17H,8-11,14H2,1H3,(H2,30,34)
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n/an/a<9n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM28216
PNG
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM28216
PNG
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 autophosphorylation preincubated with compound by DELFIA assay


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339794
PNG
((+/-)-5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)
Show SMILES CC(Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1
Show InChI InChI=1S/C26H28N4O3S/c1-17(18-6-4-3-5-7-18)32-23-15-24(34-25(23)26(27)31)30-16-28-21-9-8-20(14-22(21)30)33-19-10-12-29(2)13-11-19/h3-9,14-17,19H,10-13H2,1-2H3,(H2,27,31)
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n/an/a 66n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339793
PNG
(3-(benzyloxy)-5-(6-(1-methylpiperidin-4-yloxy)-1H-...)
Show SMILES CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2c1
Show InChI InChI=1S/C25H26N4O3S/c1-28-11-9-18(10-12-28)32-19-7-8-20-21(13-19)29(16-27-20)23-14-22(24(33-23)25(26)30)31-15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,26,30)
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n/an/a 69n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM28216
PNG
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339799
PNG
((+/-)-4-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-10-8-21(16-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)
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n/an/a 190n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM28216
PNG
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 assessed as inhibition of substrate phosphorylation preincubated for 5 mins before addition of substrate by DELFIA assay


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339800
PNG
((+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)
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n/an/a 230n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 autophosphorylation preincubated with compound by DELFIA assay


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339801
PNG
((R)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]im...)
Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)/t18-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339803
PNG
((+/-)-4-(5-(3-(Dimethylamino)propoxy)-1H-benzo[d]i...)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OCCCN(C)C)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O3/c1-18(21-7-4-5-8-23(21)28(29,30)31)38-26-15-19(9-11-22(26)27(32)36)35-17-33-24-16-20(10-12-25(24)35)37-14-6-13-34(2)3/h4-5,7-12,15-18H,6,13-14H2,1-3H3,(H2,32,36)
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n/an/a 380n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339800
PNG
((+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)
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n/an/a 570n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339799
PNG
((+/-)-4-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-10-8-21(16-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)
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n/an/a 660n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339800
PNG
((+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)
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n/an/a 910n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 assessed as inhibition of substrate phosphorylation preincubated for 5 mins before addition of substrate by DELFIA assay


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339795
PNG
(5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]imidaz...)
Show SMILES CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
Show InChI InChI=1S/C26H25F3N4O3S/c1-32-10-8-17(9-11-32)36-18-6-7-20-21(12-18)33(15-31-20)23-13-22(24(37-23)25(30)34)35-14-16-4-2-3-5-19(16)26(27,28)29/h2-7,12-13,15,17H,8-11,14H2,1H3,(H2,30,34)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339796
PNG
(3-Methoxy-5-(6-(1-methylpiperidin-4-yloxy)-1H-benz...)
Show SMILES COc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12
Show InChI InChI=1S/C19H22N4O3S/c1-22-7-5-12(6-8-22)26-13-3-4-14-15(9-13)23(11-21-14)17-10-16(25-2)18(27-17)19(20)24/h3-4,9-12H,5-8H2,1-2H3,(H2,20,24)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339804
PNG
((+/-)-4-(5-(1-Cyclopropylpiperidin-4-yloxy)-1H-ben...)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(CC3)C3CC3)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C31H31F3N4O3/c1-19(24-4-2-3-5-26(24)31(32,33)34)40-29-16-21(8-10-25(29)30(35)39)38-18-36-27-17-23(9-11-28(27)38)41-22-12-14-37(15-13-22)20-6-7-20/h2-5,8-11,16-20,22H,6-7,12-15H2,1H3,(H2,35,39)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339802
PNG
((S)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]im...)
Show SMILES C[C@H](Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)/t18-/m0/s1
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n/an/a 4.86E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339797
PNG
(5-(1H-Benzo[d]imidazol-1-yl)-3-methoxythiophene-2-...)
Show SMILES COc1cc(sc1C(N)=O)-n1cnc2ccccc12
Show InChI InChI=1S/C13H11N3O2S/c1-18-10-6-11(19-12(10)13(14)17)16-7-15-8-4-2-3-5-9(8)16/h2-7H,1H3,(H2,14,17)
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n/an/a 5.31E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339793
PNG
(3-(benzyloxy)-5-(6-(1-methylpiperidin-4-yloxy)-1H-...)
Show SMILES CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2c1
Show InChI InChI=1S/C25H26N4O3S/c1-28-11-9-18(10-12-28)32-19-7-8-20-21(13-19)29(16-27-20)23-14-22(24(33-23)25(26)30)31-15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,26,30)
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n/an/a 5.43E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339794
PNG
((+/-)-5-(6-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)
Show SMILES CC(Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1
Show InChI InChI=1S/C26H28N4O3S/c1-17(18-6-4-3-5-7-18)32-23-15-24(34-25(23)26(27)31)30-16-28-21-9-8-20(14-22(21)30)33-19-10-12-29(2)13-11-19/h3-9,14-17,19H,10-13H2,1-2H3,(H2,27,31)
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n/an/a 6.57E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339803
PNG
((+/-)-4-(5-(3-(Dimethylamino)propoxy)-1H-benzo[d]i...)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OCCCN(C)C)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O3/c1-18(21-7-4-5-8-23(21)28(29,30)31)38-26-15-19(9-11-22(26)27(32)36)35-17-33-24-16-20(10-12-25(24)35)37-14-6-13-34(2)3/h4-5,7-12,15-18H,6,13-14H2,1-3H3,(H2,32,36)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339798
PNG
((+/-)-5-(1H-Benzo[d]imidazol-1-yl)-3-(1-(2-(triflu...)
Show SMILES CC(Oc1cc(sc1C(N)=O)-n1cnc2ccccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O2S/c1-12(13-6-2-3-7-14(13)21(22,23)24)29-17-10-18(30-19(17)20(25)28)27-11-26-15-8-4-5-9-16(15)27/h2-12H,1H3,(H2,25,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339801
PNG
((R)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]im...)
Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)/t18-/m1/s1
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n/an/a 5.13E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339796
PNG
(3-Methoxy-5-(6-(1-methylpiperidin-4-yloxy)-1H-benz...)
Show SMILES COc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12
Show InChI InChI=1S/C19H22N4O3S/c1-22-7-5-12(6-8-22)26-13-3-4-14-15(9-13)23(11-21-14)17-10-16(25-2)18(27-17)19(20)24/h3-4,9-12H,5-8H2,1-2H3,(H2,20,24)
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n/an/a 6.44E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339797
PNG
(5-(1H-Benzo[d]imidazol-1-yl)-3-methoxythiophene-2-...)
Show SMILES COc1cc(sc1C(N)=O)-n1cnc2ccccc12
Show InChI InChI=1S/C13H11N3O2S/c1-18-10-6-11(19-12(10)13(14)17)16-7-15-8-4-2-3-5-9(8)16/h2-7H,1H3,(H2,14,17)
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n/an/a 8.60E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50339800
PNG
((+/-)-4-(5-(1-Methylpiperidin-4-yloxy)-1H-benzo[d]...)
Show SMILES CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)
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n/an/a 8.79E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%