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18 similar compounds to monomer 50330575

Compile data set for download or QSAR
Wt: 358.3
BDBM50330605
Wt: 328.3
BDBM50330606
Wt: 358.3
BDBM50330607
Wt: 388.4
BDBM50330578
Wt: 416.4
BDBM50330583
Wt: 430.4
BDBM50330584
Wt: 430.4
BDBM50330585
Wt: 416.4
BDBM50330586
Wt: 402.4
BDBM50330587
Wt: 428.4
BDBM50330588
Wt: 416.4
BDBM50330589
Wt: 430.4
BDBM50330590
Wt: 416.4
BDBM50330591
Wt: 402.4
BDBM50330592
Wt: 402.4
BDBM50330594
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50330605,50330606,50330607,50330578,50330583,50330584,50330585,50330586,50330587,50330588,50330589,50330590,50330591,50330592,50330594   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50330578
PNG
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330607
PNG
(1-(3-amino-6-(3,4-dimethoxyphenyl)pyrazin-2-yl)pip...)
Show SMILES COc1ccc(cc1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C18H22N4O4/c1-25-14-4-3-12(9-15(14)26-2)13-10-20-16(19)17(21-13)22-7-5-11(6-8-22)18(23)24/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20)(H,23,24)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330578
PNG
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25)
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n/an/a 410n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 autophosphorylation after 2 hrs by DELFIA assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330578
PNG
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25)
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n/an/a 940n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 assessed as inhibition of substrate phosphorylation


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330583
PNG
((+)-(2S,3S,4S)-1-(3-Amino-6-(3,4,5-trimethoxypheny...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@H](C)[C@@H]1C)C(O)=O
Show InChI InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330584
PNG
((+/-)-(2R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl...)
Show SMILES CCC[C@@H]1C[C@@H](CCN1c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1)C(O)=O
Show InChI InChI=1S/C22H30N4O5/c1-5-6-15-9-13(22(27)28)7-8-26(15)21-20(23)24-12-16(25-21)14-10-17(29-2)19(31-4)18(11-14)30-3/h10-13,15H,5-9H2,1-4H3,(H2,23,24)(H,27,28)/t13-,15-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330585
PNG
((+/-)-(2S,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H](C[C@H]1C(C)C)C(O)=O
Show InChI InChI=1S/C22H30N4O5/c1-12(2)16-8-13(22(27)28)6-7-26(16)21-20(23)24-11-15(25-21)14-9-17(29-3)19(31-5)18(10-14)30-4/h9-13,16H,6-8H2,1-5H3,(H2,23,24)(H,27,28)/t13-,16+/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330586
PNG
((+/-)-(2R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl...)
Show SMILES CC[C@@H]1C[C@@H](CCN1c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1)C(O)=O
Show InChI InChI=1S/C21H28N4O5/c1-5-14-8-12(21(26)27)6-7-25(14)20-19(22)23-11-15(24-20)13-9-16(28-2)18(30-4)17(10-13)29-3/h9-12,14H,5-8H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330587
PNG
((+/-)-(2R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H](C[C@H]1C)C(O)=O
Show InChI InChI=1S/C20H26N4O5/c1-11-7-12(20(25)26)5-6-24(11)19-18(21)22-10-14(23-19)13-8-15(27-2)17(29-4)16(9-13)28-3/h8-12H,5-7H2,1-4H3,(H2,21,22)(H,25,26)/t11-,12-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330588
PNG
((+/-)-(3R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@H](C1)C1CC1)C(O)=O
Show InChI InChI=1S/C22H28N4O5/c1-29-17-8-13(9-18(30-2)19(17)31-3)16-10-24-20(23)21(25-16)26-7-6-14(22(27)28)15(11-26)12-4-5-12/h8-10,12,14-15H,4-7,11H2,1-3H3,(H2,23,24)(H,27,28)/t14-,15-/m1/s1
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n/an/a 3.83E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330589
PNG
((+/-)(3R,4S)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)...)
Show SMILES CC[C@H]1CN(CC[C@@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H28N4O5/c1-5-12-11-25(7-6-14(12)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-2)18(30-4)17(9-13)29-3/h8-10,12,14H,5-7,11H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14-/m0/s1
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n/an/a 1.13E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330590
PNG
((+/-)(3R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)...)
Show SMILES CCC[C@H]1CN(CC[C@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H30N4O5/c1-5-6-13-12-26(8-7-15(13)22(27)28)21-20(23)24-11-16(25-21)14-9-17(29-2)19(31-4)18(10-14)30-3/h9-11,13,15H,5-8,12H2,1-4H3,(H2,23,24)(H,27,28)/t13-,15+/m0/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330591
PNG
((+/-)(3R,4R)-1-(3-amino-6-(3,4,5-trimethoxyphenyl)...)
Show SMILES CC[C@H]1CN(CC[C@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H28N4O5/c1-5-12-11-25(7-6-14(12)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-2)18(30-4)17(9-13)29-3/h8-10,12,14H,5-7,11H2,1-4H3,(H2,22,23)(H,26,27)/t12-,14+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330592
PNG
((+/-)-(3R,4S)-1-(3-amino-6-(3,4,5-trimethoxyphenyl...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@@H](C)C1)C(O)=O
Show InChI InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330594
PNG
((-)-(3S,4S)-1-(3-Amino-6-(3,4,5-trimethoxyphenyl)p...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@H](C)C1)C(O)=O
Show InChI InChI=1S/C20H26N4O5/c1-11-10-24(6-5-13(11)20(25)26)19-18(21)22-9-14(23-19)12-7-15(27-2)17(29-4)16(8-12)28-3/h7-9,11,13H,5-6,10H2,1-4H3,(H2,21,22)(H,25,26)/t11-,13+/m1/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50330578
PNG
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25)
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n/an/a 2.60E+3n/an/an/an/an/a25



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK1 after 1 hr at room temperature by caliper method


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50330578
PNG
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25)
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n/an/a 2.26E+4n/an/an/an/an/a25



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PLK1 after 75 mins at room temperature by caliper method


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330605
PNG
(1-(3-amino-6-(3,5-dimethoxyphenyl)pyrazin-2-yl)pip...)
Show SMILES COc1cc(OC)cc(c1)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C18H22N4O4/c1-25-13-7-12(8-14(9-13)26-2)15-10-20-16(19)17(21-15)22-5-3-11(4-6-22)18(23)24/h7-11H,3-6H2,1-2H3,(H2,19,20)(H,23,24)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330606
PNG
(1-(3-amino-6-(3-methoxyphenyl)pyrazin-2-yl)piperid...)
Show SMILES COc1cccc(c1)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C17H20N4O3/c1-24-13-4-2-3-12(9-13)14-10-19-15(18)16(20-14)21-7-5-11(6-8-21)17(22)23/h2-4,9-11H,5-8H2,1H3,(H2,18,19)(H,22,23)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50330578
PNG
(1-(3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C19H24N4O5/c1-26-14-8-12(9-15(27-2)16(14)28-3)13-10-21-17(20)18(22-13)23-6-4-11(5-7-23)19(24)25/h8-11H,4-7H2,1-3H3,(H2,20,21)(H,24,25)
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n/an/a 870n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2 by microfluidic assay


J Med Chem 53: 7682-98 (2010)


Article DOI: 10.1021/jm1008727
BindingDB Entry DOI: 10.7270/Q23J3D79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)