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PubMed code 21982796

Compile data set for download or QSAR
Found 108 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
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358214
PNG
(CHEMBL454617)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-4-13(10-26)22-18-23-16(20-9-14-7-5-6-8-19-14)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-13,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t13-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 107n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK9 in human HT29 cells assessed as reduction in RNA polymerase 2 expression


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50358211
PNG
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/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 CDK9/cyclin T1


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358220
PNG
(CHEMBL455389)
Show SMILES CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-6-5-7-19-8-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50358210
PNG
(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50358212
PNG
(CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358225
PNG
(CHEMBL1922199)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358212
PNG
(CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358215
PNG
(CHEMBL1922114)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-8-6-7-9-20-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13?,15-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358238
PNG
(CHEMBL1922213)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358224
PNG
(CHEMBL455641)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-5-7-19-8-6-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 740n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358221
PNG
(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358239
PNG
(CHEMBL1922214)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C21H30N6O/c1-5-16(17(28)6-2)24-21-25-19(22-12-15-10-8-7-9-11-15)18-20(26-21)27(13-23-18)14(3)4/h7-11,13-14,16-17,28H,5-6,12H2,1-4H3,(H2,22,24,25,26)/t16-,17?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358226
PNG
(CHEMBL1922200)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C21H30N6O/c1-5-16(17(28)6-2)24-21-25-19(22-12-15-10-8-7-9-11-15)18-20(26-21)27(13-23-18)14(3)4/h7-11,13-14,16-17,28H,5-6,12H2,1-4H3,(H2,22,24,25,26)/t16-,17?/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 CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358216
PNG
(CHEMBL1922115)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-9-7-8-10-21-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/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 CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7 in human HT29 cells assessed as reduction in RNA polymerase 2 expression


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358235
PNG
(CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/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 CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358223
PNG
(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358242
PNG
(CHEMBL1922217)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N6O/c1-6-16(21(4,5)28)24-20-25-18(22-12-15-10-8-7-9-11-15)17-19(26-20)27(13-23-17)14(2)3/h7-11,13-14,16,28H,6,12H2,1-5H3,(H2,22,24,25,26)/t16-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358222
PNG
(CHEMBL1922121 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358218
PNG
(CHEMBL1922117)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-10-8-9-11-23-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358211
PNG
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358231
PNG
(CHEMBL1922205)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-9-7-8-10-21-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358230
PNG
(CHEMBL1922204)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-8-6-7-9-20-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13?,15-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358240
PNG
(CHEMBL1922215)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358210
PNG
(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358232
PNG
(CHEMBL1922206)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358237
PNG
(CHEMBL1922211 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358236
PNG
(CHEMBL1922210 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358228
PNG
(CHEMBL1922202)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C23H34N6O/c1-7-17(19(30)23(4,5)6)26-22-27-20(24-13-16-11-9-8-10-12-16)18-21(28-22)29(14-25-18)15(2)3/h8-12,14-15,17,19,30H,7,13H2,1-6H3,(H2,24,26,27,28)/t17-,19?/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358229
PNG
(CHEMBL1922203)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N6O/c1-6-16(21(4,5)28)24-20-25-18(22-12-15-10-8-7-9-11-15)17-19(26-20)27(13-23-17)14(2)3/h7-11,13-14,16,28H,6,12H2,1-5H3,(H2,22,24,25,26)/t16-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358217
PNG
(CHEMBL1922116)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358214
PNG
(CHEMBL454617)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-4-13(10-26)22-18-23-16(20-9-14-7-5-6-8-19-14)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-13,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t13-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358219
PNG
(CHEMBL1922118)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
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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 CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358241
PNG
(CHEMBL1922216)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C23H34N6O/c1-7-17(19(30)23(4,5)6)26-22-27-20(24-13-16-11-9-8-10-12-16)18-21(28-22)29(14-25-18)15(2)3/h8-12,14-15,17,19,30H,7,13H2,1-6H3,(H2,24,26,27,28)/t17-,19?/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358234
PNG
(CHEMBL1921805)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358211
PNG
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358227
PNG
(CHEMBL1922201)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358212
PNG
(CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50358233
PNG
(CHEMBL1922207)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-10-8-9-11-23-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358210
PNG
(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358220
PNG
(CHEMBL455389)
Show SMILES CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-6-5-7-19-8-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358230
PNG
(CHEMBL1922204)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-8-6-7-9-20-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13?,15-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358242
PNG
(CHEMBL1922217)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N6O/c1-6-16(21(4,5)28)24-20-25-18(22-12-15-10-8-7-9-11-15)17-19(26-20)27(13-23-17)14(2)3/h7-11,13-14,16,28H,6,12H2,1-5H3,(H2,22,24,25,26)/t16-/m0/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358238
PNG
(CHEMBL1922213)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358214
PNG
(CHEMBL454617)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-4-13(10-26)22-18-23-16(20-9-14-7-5-6-8-19-14)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-13,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t13-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358221
PNG
(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358235
PNG
(CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358229
PNG
(CHEMBL1922203)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N6O/c1-6-16(21(4,5)28)24-20-25-18(22-12-15-10-8-7-9-11-15)17-19(26-20)27(13-23-17)14(2)3/h7-11,13-14,16,28H,6,12H2,1-5H3,(H2,22,24,25,26)/t16-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358235
PNG
(CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358225
PNG
(CHEMBL1922199)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358239
PNG
(CHEMBL1922214)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C21H30N6O/c1-5-16(17(28)6-2)24-21-25-19(22-12-15-10-8-7-9-11-15)18-20(26-21)27(13-23-18)14(3)4/h7-11,13-14,16-17,28H,5-6,12H2,1-4H3,(H2,22,24,25,26)/t16-,17?/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358222
PNG
(CHEMBL1922121 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358237
PNG
(CHEMBL1922211 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358236
PNG
(CHEMBL1922210 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358239
PNG
(CHEMBL1922214)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C21H30N6O/c1-5-16(17(28)6-2)24-21-25-19(22-12-15-10-8-7-9-11-15)18-20(26-21)27(13-23-18)14(3)4/h7-11,13-14,16-17,28H,5-6,12H2,1-4H3,(H2,22,24,25,26)/t16-,17?/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358226
PNG
(CHEMBL1922200)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C21H30N6O/c1-5-16(17(28)6-2)24-21-25-19(22-12-15-10-8-7-9-11-15)18-20(26-21)27(13-23-18)14(3)4/h7-11,13-14,16-17,28H,5-6,12H2,1-4H3,(H2,22,24,25,26)/t16-,17?/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358212
PNG
(CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358237
PNG
(CHEMBL1922211 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358223
PNG
(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358234
PNG
(CHEMBL1921805)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358220
PNG
(CHEMBL455389)
Show SMILES CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-6-5-7-19-8-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358224
PNG
(CHEMBL455641)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-5-7-19-8-6-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358227
PNG
(CHEMBL1922201)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358238
PNG
(CHEMBL1922213)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358228
PNG
(CHEMBL1922202)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C23H34N6O/c1-7-17(19(30)23(4,5)6)26-22-27-20(24-13-16-11-9-8-10-12-16)18-21(28-22)29(14-25-18)15(2)3/h8-12,14-15,17,19,30H,7,13H2,1-6H3,(H2,24,26,27,28)/t17-,19?/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358224
PNG
(CHEMBL455641)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-5-7-19-8-6-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358240
PNG
(CHEMBL1922215)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358211
PNG
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358216
PNG
(CHEMBL1922115)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-9-7-8-10-21-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358221
PNG
(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358215
PNG
(CHEMBL1922114)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-8-6-7-9-20-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13?,15-/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358231
PNG
(CHEMBL1922205)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-9-7-8-10-21-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358225
PNG
(CHEMBL1922199)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358219
PNG
(CHEMBL1922118)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358241
PNG
(CHEMBL1922216)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C23H34N6O/c1-7-17(19(30)23(4,5)6)26-22-27-20(24-13-16-11-9-8-10-12-16)18-21(28-22)29(14-25-18)15(2)3/h8-12,14-15,17,19,30H,7,13H2,1-6H3,(H2,24,26,27,28)/t17-,19?/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358223
PNG
(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358242
PNG
(CHEMBL1922217)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N6O/c1-6-16(21(4,5)28)24-20-25-18(22-12-15-10-8-7-9-11-15)17-19(26-20)27(13-23-17)14(2)3/h7-11,13-14,16,28H,6,12H2,1-5H3,(H2,22,24,25,26)/t16-/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358236
PNG
(CHEMBL1922210 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358215
PNG
(CHEMBL1922114)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-8-6-7-9-20-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13?,15-/m1/s1
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n/an/a 7.30E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358230
PNG
(CHEMBL1922204)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-8-6-7-9-20-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13?,15-/m0/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358231
PNG
(CHEMBL1922205)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-9-7-8-10-21-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358217
PNG
(CHEMBL1922116)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358240
PNG
(CHEMBL1922215)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m0/s1
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n/an/a 8.80E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358210
PNG
(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
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n/an/a 9.10E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358226
PNG
(CHEMBL1922200)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C21H30N6O/c1-5-16(17(28)6-2)24-21-25-19(22-12-15-10-8-7-9-11-15)18-20(26-21)27(13-23-18)14(3)4/h7-11,13-14,16-17,28H,5-6,12H2,1-4H3,(H2,22,24,25,26)/t16-,17?/m1/s1
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n/an/a 1.03E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358222
PNG
(CHEMBL1922121 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1
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n/an/a 1.11E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358233
PNG
(CHEMBL1922207)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-10-8-9-11-23-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m0/s1
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n/an/a 1.37E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358229
PNG
(CHEMBL1922203)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C21H30N6O/c1-6-16(21(4,5)28)24-20-25-18(22-12-15-10-8-7-9-11-15)17-19(26-20)27(13-23-17)14(2)3/h7-11,13-14,16,28H,6,12H2,1-5H3,(H2,22,24,25,26)/t16-/m1/s1
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n/an/a 1.49E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358218
PNG
(CHEMBL1922117)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-10-8-9-11-23-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358232
PNG
(CHEMBL1922206)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358241
PNG
(CHEMBL1922216)
Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C23H34N6O/c1-7-17(19(30)23(4,5)6)26-22-27-20(24-13-16-11-9-8-10-12-16)18-21(28-22)29(14-25-18)15(2)3/h8-12,14-15,17,19,30H,7,13H2,1-6H3,(H2,24,26,27,28)/t17-,19?/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358232
PNG
(CHEMBL1922206)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358233
PNG
(CHEMBL1922207)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-10-8-9-11-23-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358228
PNG
(CHEMBL1922202)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C23H34N6O/c1-7-17(19(30)23(4,5)6)26-22-27-20(24-13-16-11-9-8-10-12-16)18-21(28-22)29(14-25-18)15(2)3/h8-12,14-15,17,19,30H,7,13H2,1-6H3,(H2,24,26,27,28)/t17-,19?/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358217
PNG
(CHEMBL1922116)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358219
PNG
(CHEMBL1922118)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358234
PNG
(CHEMBL1921805)
Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358218
PNG
(CHEMBL1922117)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-10-8-9-11-23-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358227
PNG
(CHEMBL1922201)
Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50358216
PNG
(CHEMBL1922115)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-9-7-8-10-21-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%