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PubMed code 25042558

Compile data set for download or QSAR
Found 38 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 Chk1


(Homo sapiens (Human))
BDBM50053235
PNG
(CHEMBL3330232)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1c(N[C@H]2CCCNC2)c2cc(Cl)sc2[nH]c1=O |r|
Show InChI InChI=1/C20H20ClN5O2S/c1-28-11-4-5-13-14(7-11)25-18(24-13)16-17(23-10-3-2-6-22-9-10)12-8-15(21)29-20(12)26-19(16)27/h4-5,7-8,10,22H,2-3,6,9H2,1H3,(H,24,25)(H2,23,26,27)/t10-/s2
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n/an/a 2.30n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053242
PNG
(CHEMBL3330227)
Show SMILES Clc1cc2c(N[C@H]3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1 |r|
Show InChI InChI=1/C19H18ClN5OS/c20-14-8-11-16(22-10-4-3-7-21-9-10)15(18(26)25-19(11)27-14)17-23-12-5-1-2-6-13(12)24-17/h1-2,5-6,8,10,21H,3-4,7,9H2,(H,23,24)(H2,22,25,26)/t10-/s2
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n/an/a 3.5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053243
PNG
(CHEMBL3330148)
Show SMILES Clc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
Show InChI InChI=1/C19H18ClN5OS/c20-14-8-11-16(22-10-4-3-7-21-9-10)15(18(26)25-19(11)27-14)17-23-12-5-1-2-6-13(12)24-17/h1-2,5-6,8,10,21H,3-4,7,9H2,(H,23,24)(H2,22,25,26)
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n/an/a 4.10n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053238
PNG
(CHEMBL3330230)
Show SMILES Brc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
Show InChI InChI=1/C19H18BrN5OS/c20-14-8-11-16(22-10-4-3-7-21-9-10)15(18(26)25-19(11)27-14)17-23-12-5-1-2-6-13(12)24-17/h1-2,5-6,8,10,21H,3-4,7,9H2,(H,23,24)(H2,22,25,26)
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n/an/a 4.80n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053259
PNG
(CHEMBL3330133)
Show SMILES O=c1[nH]c2sccc2c(N[C@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C19H19N5OS/c25-18-15(17-22-13-5-1-2-6-14(13)23-17)16(12-7-9-26-19(12)24-18)21-11-4-3-8-20-10-11/h1-2,5-7,9,11,20H,3-4,8,10H2,(H,22,23)(H2,21,24,25)/t11-/s2
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n/an/a 5.20n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053234
PNG
(CHEMBL3330233)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1c(NC2CN3CCC2CC3)c2cc(Cl)sc2[nH]c1=O |(4.33,-25.42,;5.88,-25.42,;6.65,-24.08,;5.88,-22.74,;6.65,-21.41,;8.18,-21.41,;9.22,-20.26,;10.63,-20.89,;10.47,-22.43,;8.96,-22.74,;8.18,-24.08,;11.97,-20.12,;13.3,-20.89,;13.3,-22.44,;14.63,-23.2,;14.63,-24.74,;15.96,-25.51,;17.29,-24.74,;17.29,-23.2,;15.96,-22.43,;15.15,-23.8,;16.74,-23.8,;14.63,-20.12,;16.1,-20.6,;17.01,-19.35,;18.55,-19.35,;16.1,-18.11,;14.63,-18.58,;13.3,-17.81,;11.97,-18.58,;10.63,-17.81,)|
Show InChI InChI=1/C22H22ClN5O2S/c1-30-12-2-3-14-15(8-12)26-20(25-14)18-19(13-9-17(23)31-22(13)27-21(18)29)24-16-10-28-6-4-11(16)5-7-28/h2-3,8-9,11,16H,4-7,10H2,1H3,(H,25,26)(H2,24,27,29)
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n/an/a 5.40n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053239
PNG
(CHEMBL3330229)
Show SMILES Clc1cc2c(NC3CN4CCC3CC4)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1 |(4.23,-18.7,;5.76,-18.7,;6.67,-17.45,;8.14,-17.93,;9.47,-17.17,;9.47,-15.63,;8.14,-14.86,;8.14,-13.33,;6.81,-12.56,;5.47,-13.32,;5.47,-14.86,;6.8,-15.64,;7.59,-13.93,;6,-13.93,;10.8,-17.93,;12.12,-17.17,;12.29,-15.63,;13.8,-15.32,;14.56,-13.99,;16.1,-13.99,;16.86,-15.32,;16.1,-16.65,;14.56,-16.65,;13.53,-17.79,;10.8,-19.47,;12.12,-20.24,;9.47,-20.24,;8.14,-19.47,;6.67,-19.95,)|
Show InChI InChI=1/C21H20ClN5OS/c22-16-9-12-18(23-15-10-27-7-5-11(15)6-8-27)17(20(28)26-21(12)29-16)19-24-13-3-1-2-4-14(13)25-19/h1-4,9,11,15H,5-8,10H2,(H,24,25)(H2,23,26,28)
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n/an/a 6.20n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053231
PNG
(CHEMBL3330236)
Show SMILES O=c1[nH]c2ccsc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1/C19H19N5OS/c25-19-15(18-22-12-5-1-2-6-13(12)23-18)16(17-14(24-19)7-9-26-17)21-11-4-3-8-20-10-11/h1-2,5-7,9,11,20H,3-4,8,10H2,(H,22,23)(H2,21,24,25)
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n/an/a 7.5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50389803
PNG
(AZD7762 | CHEMBL2041933)
Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053233
PNG
(CHEMBL3330234)
Show SMILES Cc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
Show InChI InChI=1/C20H21N5OS/c1-11-9-13-17(22-12-5-4-8-21-10-12)16(19(26)25-20(13)27-11)18-23-14-6-2-3-7-15(14)24-18/h2-3,6-7,9,12,21H,4-5,8,10H2,1H3,(H,23,24)(H2,22,25,26)
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n/an/a 9.80n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053257
PNG
(CHEMBL3330135)
Show SMILES O=c1[nH]c2sccc2c(NC2CCNCC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H19N5OS/c25-18-15(17-22-13-3-1-2-4-14(13)23-17)16(12-7-10-26-19(12)24-18)21-11-5-8-20-9-6-11/h1-4,7,10-11,20H,5-6,8-9H2,(H,22,23)(H2,21,24,25)
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n/an/a 9.90n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053256
PNG
(CHEMBL3330136)
Show SMILES O=c1[nH]c2sccc2c(NC2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 |(23.44,-23.73,;22.09,-23,;20.77,-23.8,;19.42,-23.07,;17.97,-23.59,;17.03,-22.37,;17.9,-21.1,;19.38,-21.53,;20.69,-20.72,;20.64,-19.19,;19.29,-18.45,;19.25,-16.91,;17.89,-16.18,;16.58,-16.99,;16.62,-18.53,;17.98,-19.26,;19.02,-17.66,;17.48,-17.66,;22.04,-21.46,;23.35,-20.65,;23.47,-19.11,;24.97,-18.75,;25.7,-17.4,;27.24,-17.35,;28.05,-18.66,;27.32,-20.02,;25.78,-20.06,;24.78,-21.24,)|
Show InChI InChI=1/C21H21N5OS/c27-20-17(19-23-14-3-1-2-4-15(14)24-19)18(13-7-10-28-21(13)25-20)22-16-11-26-8-5-12(16)6-9-26/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,23,24)(H2,22,25,27)
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n/an/a 14n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053236
PNG
(CHEMBL3330231)
Show SMILES Brc1cc2c(NC3CCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
Show InChI InChI=1/C18H16BrN5OS/c19-13-7-10-15(21-9-5-6-20-8-9)14(17(25)24-18(10)26-13)16-22-11-3-1-2-4-12(11)23-16/h1-4,7,9,20H,5-6,8H2,(H,22,23)(H2,21,24,25)
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n/an/a 15n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053260
PNG
(CHEMBL3330132)
Show SMILES O=c1[nH]c2sccc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1/C19H19N5OS/c25-18-15(17-22-13-5-1-2-6-14(13)23-17)16(12-7-9-26-19(12)24-18)21-11-4-3-8-20-10-11/h1-2,5-7,9,11,20H,3-4,8,10H2,(H,22,23)(H2,21,24,25)
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n/an/a 16n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053232
PNG
(CHEMBL3330235)
Show SMILES Cc1cc2c(NC3CCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
Show InChI InChI=1/C19H19N5OS/c1-10-8-12-16(21-11-6-7-20-9-11)15(18(25)24-19(12)26-10)17-22-13-4-2-3-5-14(13)23-17/h2-5,8,11,20H,6-7,9H2,1H3,(H,22,23)(H2,21,24,25)
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n/an/a 23n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053230
PNG
(CHEMBL3330237)
Show SMILES O=c1[nH]c2ccsc2c(NC2CCNC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1/C18H17N5OS/c24-18-14(17-21-11-3-1-2-4-12(11)22-17)15(20-10-5-7-19-9-10)16-13(23-18)6-8-25-16/h1-4,6,8,10,19H,5,7,9H2,(H,21,22)(H2,20,23,24)
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n/an/a 25n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053241
PNG
(CHEMBL3330228)
Show SMILES Clc1cc2c(NC3CCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
Show InChI InChI=1/C18H16ClN5OS/c19-13-7-10-15(21-9-5-6-20-8-9)14(17(25)24-18(10)26-13)16-22-11-3-1-2-4-12(11)23-16/h1-4,7,9,20H,5-6,8H2,(H,22,23)(H2,21,24,25)
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n/an/a 41n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053258
PNG
(CHEMBL3330134)
Show SMILES O=c1[nH]c2sccc2c(NC2CCNC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1/C18H17N5OS/c24-17-14(16-21-12-3-1-2-4-13(12)22-16)15(20-10-5-7-19-9-10)11-6-8-25-18(11)23-17/h1-4,6,8,10,19H,5,7,9H2,(H,21,22)(H2,20,23,24)
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n/an/a 48n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053254
PNG
(CHEMBL3330138)
Show SMILES O=c1[nH]c2sccc2c(NCC2CCNCC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H21N5OS/c26-19-16(18-23-14-3-1-2-4-15(14)24-18)17(13-7-10-27-20(13)25-19)22-11-12-5-8-21-9-6-12/h1-4,7,10,12,21H,5-6,8-9,11H2,(H,23,24)(H2,22,25,26)
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n/an/a 116n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053251
PNG
(CHEMBL3330141)
Show SMILES CN(C)CCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
Show InChI InChI=1S/C18H19N5OS/c1-23(2)9-8-19-15-11-7-10-25-18(11)22-17(24)14(15)16-20-12-5-3-4-6-13(12)21-16/h3-7,10H,8-9H2,1-2H3,(H,20,21)(H2,19,22,24)
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n/an/a 178n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053231
PNG
(CHEMBL3330236)
Show SMILES O=c1[nH]c2ccsc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1/C19H19N5OS/c25-19-15(18-22-12-5-1-2-6-13(12)23-18)16(17-14(24-19)7-9-26-17)21-11-4-3-8-20-10-11/h1-2,5-7,9,11,20H,3-4,8,10H2,(H,22,23)(H2,21,24,25)
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n/an/a 202n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053235
PNG
(CHEMBL3330232)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1c(N[C@H]2CCCNC2)c2cc(Cl)sc2[nH]c1=O |r|
Show InChI InChI=1/C20H20ClN5O2S/c1-28-11-4-5-13-14(7-11)25-18(24-13)16-17(23-10-3-2-6-22-9-10)12-8-15(21)29-20(12)26-19(16)27/h4-5,7-8,10,22H,2-3,6,9H2,1H3,(H,24,25)(H2,23,26,27)/t10-/s2
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n/an/a 328n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053259
PNG
(CHEMBL3330133)
Show SMILES O=c1[nH]c2sccc2c(N[C@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C19H19N5OS/c25-18-15(17-22-13-5-1-2-6-14(13)23-17)16(12-7-9-26-19(12)24-18)21-11-4-3-8-20-10-11/h1-2,5-7,9,11,20H,3-4,8,10H2,(H,22,23)(H2,21,24,25)/t11-/s2
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n/an/a 495n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053260
PNG
(CHEMBL3330132)
Show SMILES O=c1[nH]c2sccc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1/C19H19N5OS/c25-18-15(17-22-13-5-1-2-6-14(13)23-17)16(12-7-9-26-19(12)24-18)21-11-4-3-8-20-10-11/h1-2,5-7,9,11,20H,3-4,8,10H2,(H,22,23)(H2,21,24,25)
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n/an/a 791n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053243
PNG
(CHEMBL3330148)
Show SMILES Clc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
Show InChI InChI=1/C19H18ClN5OS/c20-14-8-11-16(22-10-4-3-7-21-9-10)15(18(26)25-19(11)27-14)17-23-12-5-1-2-6-13(12)24-17/h1-2,5-6,8,10,21H,3-4,7,9H2,(H,23,24)(H2,22,25,26)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053234
PNG
(CHEMBL3330233)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1c(NC2CN3CCC2CC3)c2cc(Cl)sc2[nH]c1=O |(4.33,-25.42,;5.88,-25.42,;6.65,-24.08,;5.88,-22.74,;6.65,-21.41,;8.18,-21.41,;9.22,-20.26,;10.63,-20.89,;10.47,-22.43,;8.96,-22.74,;8.18,-24.08,;11.97,-20.12,;13.3,-20.89,;13.3,-22.44,;14.63,-23.2,;14.63,-24.74,;15.96,-25.51,;17.29,-24.74,;17.29,-23.2,;15.96,-22.43,;15.15,-23.8,;16.74,-23.8,;14.63,-20.12,;16.1,-20.6,;17.01,-19.35,;18.55,-19.35,;16.1,-18.11,;14.63,-18.58,;13.3,-17.81,;11.97,-18.58,;10.63,-17.81,)|
Show InChI InChI=1/C22H22ClN5O2S/c1-30-12-2-3-14-15(8-12)26-20(25-14)18-19(13-9-17(23)31-22(13)27-21(18)29)24-16-10-28-6-4-11(16)5-7-28/h2-3,8-9,11,16H,4-7,10H2,1H3,(H,25,26)(H2,24,27,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053238
PNG
(CHEMBL3330230)
Show SMILES Brc1cc2c(NC3CCCNC3)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1
Show InChI InChI=1/C19H18BrN5OS/c20-14-8-11-16(22-10-4-3-7-21-9-10)15(18(26)25-19(11)27-14)17-23-12-5-1-2-6-13(12)24-17/h1-2,5-6,8,10,21H,3-4,7,9H2,(H,23,24)(H2,22,25,26)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053244
PNG
(CHEMBL3330147)
Show SMILES O=c1[nH]c2sccc2c(N2CCOCC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2S/c23-17-14(16-19-12-3-1-2-4-13(12)20-16)15(22-6-8-24-9-7-22)11-5-10-25-18(11)21-17/h1-5,10H,6-9H2,(H,19,20)(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053252
PNG
(CHEMBL3330140)
Show SMILES CNCCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
Show InChI InChI=1S/C17H17N5OS/c1-18-7-8-19-14-10-6-9-24-17(10)22-16(23)13(14)15-20-11-4-2-3-5-12(11)21-15/h2-6,9,18H,7-8H2,1H3,(H,20,21)(H2,19,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053249
PNG
(CHEMBL3330142)
Show SMILES O=c1[nH]c2sccc2c(NCCN2CCOCC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H21N5O2S/c26-19-16(18-22-14-3-1-2-4-15(14)23-18)17(13-5-12-28-20(13)24-19)21-6-7-25-8-10-27-11-9-25/h1-5,12H,6-11H2,(H,22,23)(H2,21,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053255
PNG
(CHEMBL3330137)
Show SMILES O=c1[nH]c2sccc2c(NC2CCCCC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H20N4OS/c25-19-16(18-22-14-8-4-5-9-15(14)23-18)17(13-10-11-26-20(13)24-19)21-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,22,23)(H2,21,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053247
PNG
(CHEMBL3330144)
Show SMILES OCCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
Show InChI InChI=1S/C16H14N4O2S/c21-7-6-17-13-9-5-8-23-16(9)20-15(22)12(13)14-18-10-3-1-2-4-11(10)19-14/h1-5,8,21H,6-7H2,(H,18,19)(H2,17,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053256
PNG
(CHEMBL3330136)
Show SMILES O=c1[nH]c2sccc2c(NC2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 |(23.44,-23.73,;22.09,-23,;20.77,-23.8,;19.42,-23.07,;17.97,-23.59,;17.03,-22.37,;17.9,-21.1,;19.38,-21.53,;20.69,-20.72,;20.64,-19.19,;19.29,-18.45,;19.25,-16.91,;17.89,-16.18,;16.58,-16.99,;16.62,-18.53,;17.98,-19.26,;19.02,-17.66,;17.48,-17.66,;22.04,-21.46,;23.35,-20.65,;23.47,-19.11,;24.97,-18.75,;25.7,-17.4,;27.24,-17.35,;28.05,-18.66,;27.32,-20.02,;25.78,-20.06,;24.78,-21.24,)|
Show InChI InChI=1/C21H21N5OS/c27-20-17(19-23-14-3-1-2-4-15(14)24-19)18(13-7-10-28-21(13)25-20)22-16-11-26-8-5-12(16)6-9-26/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,23,24)(H2,22,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053248
PNG
(CHEMBL3330143)
Show SMILES COC(=O)CCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
Show InChI InChI=1S/C18H16N4O3S/c1-25-13(23)6-8-19-15-10-7-9-26-18(10)22-17(24)14(15)16-20-11-4-2-3-5-12(11)21-16/h2-5,7,9H,6,8H2,1H3,(H,20,21)(H2,19,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50053239
PNG
(CHEMBL3330229)
Show SMILES Clc1cc2c(NC3CN4CCC3CC4)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c2s1 |(4.23,-18.7,;5.76,-18.7,;6.67,-17.45,;8.14,-17.93,;9.47,-17.17,;9.47,-15.63,;8.14,-14.86,;8.14,-13.33,;6.81,-12.56,;5.47,-13.32,;5.47,-14.86,;6.8,-15.64,;7.59,-13.93,;6,-13.93,;10.8,-17.93,;12.12,-17.17,;12.29,-15.63,;13.8,-15.32,;14.56,-13.99,;16.1,-13.99,;16.86,-15.32,;16.1,-16.65,;14.56,-16.65,;13.53,-17.79,;10.8,-19.47,;12.12,-20.24,;9.47,-20.24,;8.14,-19.47,;6.67,-19.95,)|
Show InChI InChI=1/C21H20ClN5OS/c22-16-9-12-18(23-15-10-27-7-5-11(15)6-8-27)17(20(28)26-21(12)29-16)19-24-13-3-1-2-4-14(13)25-19/h1-4,9,11,15H,5-8,10H2,(H,24,25)(H2,23,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053253
PNG
(CHEMBL3330139)
Show SMILES NCCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
Show InChI InChI=1S/C16H15N5OS/c17-6-7-18-13-9-5-8-23-16(9)21-15(22)12(13)14-19-10-3-1-2-4-11(10)20-14/h1-5,8H,6-7,17H2,(H,19,20)(H2,18,21,22)
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Article
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053246
PNG
(CHEMBL3330145)
Show SMILES OCC1CCN(CC1)c1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
Show InChI InChI=1S/C20H20N4O2S/c25-11-12-5-8-24(9-6-12)17-13-7-10-27-20(13)23-19(26)16(17)18-21-14-3-1-2-4-15(14)22-18/h1-4,7,10,12,25H,5-6,8-9,11H2,(H,21,22)(H,23,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50053245
PNG
(CHEMBL3330146)
Show SMILES O=c1[nH]c2sccc2c(N2CCCCC2)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H18N4OS/c24-18-15(17-20-13-6-2-3-7-14(13)21-17)16(23-9-4-1-5-10-23)12-8-11-25-19(12)22-18/h2-3,6-8,11H,1,4-5,9-10H2,(H,20,21)(H,22,24)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%