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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with Target = 'Cyclin-A2' AND taxid = 9913   
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-A2


(Bos taurus)
BDBM50235343
PNG
(CHEMBL4103249)
Show SMILES CCC(C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
Show InChI InChI=1S/C15H18N6O3S/c1-3-9(2)24-14-12-13(18-8-17-12)20-15(21-14)19-10-4-6-11(7-5-10)25(16,22)23/h4-9H,3H2,1-2H3,(H2,16,22,23)(H2,17,18,19,20,21)
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n/an/a 1n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235335
PNG
(CHEMBL4092981)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nn[nH]c3n2)cc1
Show InChI InChI=1S/C17H21N7O3S/c18-28(25,26)13-8-6-12(7-9-13)19-17-20-15-14(22-24-23-15)16(21-17)27-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,18,25,26)(H2,19,20,21,22,23,24)
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PubMed
n/an/a 2n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235348
PNG
(CHEMBL4078988)
Show SMILES CC(C)COc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
Show InChI InChI=1S/C15H18N6O3S/c1-9(2)7-24-14-12-13(18-8-17-12)20-15(21-14)19-10-3-5-11(6-4-10)25(16,22)23/h3-6,8-9H,7H2,1-2H3,(H2,16,22,23)(H2,17,18,19,20,21)
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PubMed
n/an/a 3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235346
PNG
(CHEMBL4102518)
Show SMILES CCCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
Show InChI InChI=1S/C14H16N6O3S/c1-2-7-23-13-11-12(17-8-16-11)19-14(20-13)18-9-3-5-10(6-4-9)24(15,21)22/h3-6,8H,2,7H2,1H3,(H2,15,21,22)(H2,16,17,18,19,20)
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PubMed
n/an/a 8n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235347
PNG
(CHEMBL4078246)
Show SMILES CC(C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
Show InChI InChI=1S/C14H16N6O3S/c1-8(2)23-13-11-12(17-7-16-11)19-14(20-13)18-9-3-5-10(6-4-9)24(15,21)22/h3-8H,1-2H3,(H2,15,21,22)(H2,16,17,18,19,20)
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n/an/a 10n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235349
PNG
(CHEMBL4065402)
Show SMILES CC(C)[Si](C#Cc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12)(C(C)C)C(C)C
Show InChI InChI=1S/C22H30N6O2SSi/c1-14(2)32(15(3)4,16(5)6)12-11-19-20-21(25-13-24-20)28-22(27-19)26-17-7-9-18(10-8-17)31(23,29)30/h7-10,13-16H,1-6H3,(H2,23,29,30)(H2,24,25,26,27,28)
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n/an/a 17n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibition against angiotensin converting enzyme (ACE)


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235336
PNG
(CHEMBL4085238)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cn[nH]c3n2)cc1
Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)21-18-22-16-15(10-20-24-16)17(23-18)27-11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 18n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235354
PNG
(CHEMBL4069161)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(C3CC3)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C14H14N6O2S/c15-23(21,22)10-5-3-9(4-6-10)18-14-19-11(8-1-2-8)12-13(20-14)17-7-16-12/h3-8H,1-2H2,(H2,15,21,22)(H2,16,17,18,19,20)
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n/an/a 19n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235344
PNG
(CHEMBL4086832)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC#C)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C14H12N6O3S/c1-2-7-23-13-11-12(17-8-16-11)19-14(20-13)18-9-3-5-10(6-4-9)24(15,21)22/h1,3-6,8H,7H2,(H2,15,21,22)(H2,16,17,18,19,20)
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n/an/a 19n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibition against angiotensin converting enzyme (ACE)


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235345
PNG
(CHEMBL4105278)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-8-6-12(7-9-13)21-17-22-14(11-4-2-1-3-5-11)15-16(23-17)20-10-19-15/h1-10H,(H2,18,24,25)(H2,19,20,21,22,23)
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n/an/a 24n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235337
PNG
(CHEMBL4062554)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C19H23N5O3S/c20-28(25,26)15-8-6-14(7-9-15)22-19-23-17-16(10-11-21-17)18(24-19)27-12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H2,20,25,26)(H2,21,22,23,24)
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n/an/a 26n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235340
PNG
(CHEMBL4101626)
Show SMILES CCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
Show InChI InChI=1S/C13H14N6O3S/c1-2-22-12-10-11(16-7-15-10)18-13(19-12)17-8-3-5-9(6-4-8)23(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19)
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PubMed
n/an/a 26n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235355
PNG
(CHEMBL4081027)
Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
Show InChI InChI=1S/C18H16N6O3S/c1-27-13-4-2-3-11(9-13)15-16-17(21-10-20-16)24-18(23-15)22-12-5-7-14(8-6-12)28(19,25)26/h2-10H,1H3,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 39n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235334
PNG
(CHEMBL4070391)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(-c3cccc(c3)-c3ccccc3)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29)
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n/an/a 44n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235356
PNG
(CHEMBL4097571)
Show SMILES COc1ccc(cc1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
Show InChI InChI=1S/C18H16N6O3S/c1-27-13-6-2-11(3-7-13)15-16-17(21-10-20-16)24-18(23-15)22-12-4-8-14(9-5-12)28(19,25)26/h2-10H,1H3,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 52n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235353
PNG
(CHEMBL4090226)
Show SMILES CCc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
Show InChI InChI=1S/C13H14N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19)
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n/an/a 220n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235332
PNG
(CHEMBL4094205)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C19H23N5O3S/c20-28(25,26)15-8-6-14(7-9-15)23-17-10-16(18-19(24-17)22-12-21-18)27-11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2,(H2,20,25,26)(H2,21,22,23,24)
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n/an/a 290n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235357
PNG
(CHEMBL4089837)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(-c3ccc4OCOc4c3)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C18H14N6O4S/c19-29(25,26)12-4-2-11(3-5-12)22-18-23-15(16-17(24-18)21-8-20-16)10-1-6-13-14(7-10)28-9-27-13/h1-8H,9H2,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 580n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235361
PNG
(CHEMBL4074015)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C13H10N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h1,3-7H,(H2,14,20,21)(H2,15,16,17,18,19)
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n/an/a 830n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM5530
PNG
(2-Anilino-6-cyclohexylmethoxypurine | 6-(cyclohexy...)
Show SMILES C(Oc1nc(Nc2ccccc2)nc2nc[nH]c12)C1CCCCC1
Show InChI InChI=1S/C18H21N5O/c1-3-7-13(8-4-1)11-24-17-15-16(20-12-19-15)22-18(23-17)21-14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21,22,23)
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PubMed
n/an/a 970n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235339
PNG
(CHEMBL4073211)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3nc[nH]c3n2)cc1
Show InChI InChI=1S/C11H10N6O2S/c12-20(18,19)8-3-1-7(2-4-8)16-11-13-5-9-10(17-11)15-6-14-9/h1-6H,(H2,12,18,19)(H2,13,14,15,16,17)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235351
PNG
(CHEMBL4102300)
Show SMILES CC#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
Show InChI InChI=1S/C14H11N5/c1-2-6-11-12-13(16-9-15-12)19-14(18-11)17-10-7-4-3-5-8-10/h3-5,7-9H,1H3,(H2,15,16,17,18,19)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235330
PNG
(CHEMBL4081980)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(-c3cccc4Sc5ccccc5Sc34)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C23H16N6O2S3/c24-34(30,31)14-10-8-13(9-11-14)27-23-28-19(20-22(29-23)26-12-25-20)15-4-3-7-18-21(15)33-17-6-2-1-5-16(17)32-18/h1-12H,(H2,24,30,31)(H2,25,26,27,28,29)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235352
PNG
(CHEMBL4084337)
Show SMILES N(c1ccccc1)c1nc(C#Cc2ccccc2)c2nc[nH]c2n1
Show InChI InChI=1S/C19H13N5/c1-3-7-14(8-4-1)11-12-16-17-18(21-13-20-17)24-19(23-16)22-15-9-5-2-6-10-15/h1-10,13H,(H2,20,21,22,23,24)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235358
PNG
(CHEMBL4072216)
Show SMILES Nc1nc(OCC2CCCCC2)c2cn[nH]c2n1
Show InChI InChI=1S/C12H17N5O/c13-12-15-10-9(6-14-17-10)11(16-12)18-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H3,13,14,15,16,17)
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PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235333
PNG
(CHEMBL4066675)
Show SMILES Nc1nc(OCC2CCCCC2)c2nn[nH]c2n1
Show InChI InChI=1S/C11H16N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H3,12,13,14,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235350
PNG
(CHEMBL4094562)
Show SMILES C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
Show InChI InChI=1S/C13H9N5/c1-2-10-11-12(15-8-14-11)18-13(17-10)16-9-6-4-3-5-7-9/h1,3-8H,(H2,14,15,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235331
PNG
(CHEMBL4099986)
Show SMILES Nc1cc(OCC2CCCCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C13H18N4O/c14-11-6-10(12-13(17-11)16-8-15-12)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H3,14,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.84E+4n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair
Cyclin-A2


(Bos taurus)
BDBM50235338
PNG
(CHEMBL4072170)
Show SMILES N(c1ccccc1)c1ncc2nc[nH]c2n1
Show InChI InChI=1S/C11H9N5/c1-2-4-8(5-3-1)15-11-12-6-9-10(16-11)14-7-13-9/h1-7H,(H2,12,13,14,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A


J Med Chem 60: 1746-1767 (2017)

More data for this
Ligand-Target Pair