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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50025486   
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 2


(Homo sapiens (Human))
BDBM8364
PNG
(CHEMBL260416 | N-[6-(3-bromo-4-hydroxyphenyl)-1H-p...)
Show SMILES Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Show InChI InChI=1S/C16H13BrN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 2n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8348
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 12 | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1-c1ccccc1
Show InChI InChI=1S/C22H18N4O2/c27-16-10-8-14(9-11-16)19-17(13-4-2-1-3-5-13)12-18-20(23-19)25-26-21(18)24-22(28)15-6-7-15/h1-5,8-12,15,27H,6-7H2,(H2,23,24,25,26,28)
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n/an/a 5n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50272123
PNG
(CHEMBL500804 | N-(1,3a-dihydrocyclopenta[c]pyrazol...)
Show SMILES O=C(Nc1[nH][nH]c2cccc12)C1CC1
Show InChI InChI=1S/C10H11N3O/c14-10(6-4-5-6)11-9-7-2-1-3-8(7)12-13-9/h1-3,6,12-13H,4-5H2,(H,11,14)
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n/an/a 5n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8349
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 13 | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br
Show InChI InChI=1S/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)
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n/an/a 5n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8357
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 21 | CHEMB...)
Show SMILES CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1
Show InChI InChI=1S/C22H27BrN6O2/c1-2-28-10-12-29(13-11-28)9-3-4-19(31)24-21-17-14-18(23)20(25-22(17)27-26-21)15-5-7-16(30)8-6-15/h5-8,14,30H,2-4,9-13H2,1H3,(H2,24,25,26,27,31)
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n/an/a 60n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8387
PNG
(CHEMBL318522 | N-[6-(thiophen-2-yl)-1H-indazol-3-y...)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccs1)C1CC1
Show InChI InChI=1S/C15H13N3OS/c19-15(9-3-4-9)16-14-11-6-5-10(8-12(11)17-18-14)13-2-1-7-20-13/h1-2,5-9H,3-4H2,(H2,16,17,18,19)
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n/an/a 341n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8388
PNG
(CHEMBL260928 | N-[6-(thiophen-3-yl)-1H-indazol-3-y...)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccsc1)C1CC1
Show InChI InChI=1S/C15H13N3OS/c19-15(9-1-2-9)16-14-12-4-3-10(7-13(12)17-18-14)11-5-6-20-8-11/h3-9H,1-2H2,(H2,16,17,18,19)
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n/an/a 484n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8384
PNG
(CHEMBL260929 | N-[6-(1H-pyrrol-2-yl)-1H-indazol-3-...)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccc[nH]1)C1CC1
Show InChI InChI=1S/C15H14N4O/c20-15(9-3-4-9)17-14-11-6-5-10(8-13(11)18-19-14)12-2-1-7-16-12/h1-2,5-9,16H,3-4H2,(H2,17,18,19,20)
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n/an/a 497n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8385
PNG
(CHEMBL421207 | N-[6-(furan-2-yl)-1H-indazol-3-yl]c...)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccco1)C1CC1
Show InChI InChI=1S/C15H13N3O2/c19-15(9-3-4-9)16-14-11-6-5-10(8-12(11)17-18-14)13-2-1-7-20-13/h1-2,5-9H,3-4H2,(H2,16,17,18,19)
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n/an/a 631n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8389
PNG
(CHEMBL260231 | N-[5-bromo-6-(thiophen-2-yl)-1H-pyr...)
Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1cccs1
Show InChI InChI=1S/C14H11BrN4OS/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
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n/an/a 639n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8371
PNG
(CHEMBL261659 | N-[6-(1H-indol-5-yl)-1H-indazol-3-y...)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1)C1CC1
Show InChI InChI=1S/C19H16N4O/c24-19(11-1-2-11)21-18-15-5-3-13(10-17(15)22-23-18)12-4-6-16-14(9-12)7-8-20-16/h3-11,20H,1-2H2,(H2,21,22,23,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8369
PNG
(CHEMBL405021 | N-(6-phenyl-1H-indazol-3-yl)cyclopr...)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccccc1)C1CC1
Show InChI InChI=1S/C17H15N3O/c21-17(12-6-7-12)18-16-14-9-8-13(10-15(14)19-20-16)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2,(H2,18,19,20,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8374
PNG
(CHEMBL407113 | N-[6-(3-sulfamoylphenyl)-1H-indazol...)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C17H16N4O3S/c18-25(23,24)13-3-1-2-11(8-13)12-6-7-14-15(9-12)20-21-16(14)19-17(22)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,23,24)(H2,19,20,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8382
PNG
(CHEMBL261660 | N-[6-(3-fluorophenyl)-1H-indazol-3-...)
Show SMILES Fc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C17H14FN3O/c18-13-3-1-2-11(8-13)12-6-7-14-15(9-12)20-21-16(14)19-17(22)10-4-5-10/h1-3,6-10H,4-5H2,(H2,19,20,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8386
PNG
(CHEMBL260243 | N-[6-(furan-3-yl)-1H-indazol-3-yl]c...)
Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccoc1)C1CC1
Show InChI InChI=1S/C15H13N3O2/c19-15(9-1-2-9)16-14-12-4-3-10(7-13(12)17-18-14)11-5-6-20-8-11/h3-9H,1-2H2,(H2,16,17,18,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8390
PNG
(CHEMBL407980 | N-[5-bromo-6-(thiophen-2-yl)-1H-pyr...)
Show SMILES Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1cccs1
Show InChI InChI=1S/C16H15BrN4OS/c17-11-8-10-14(18-13(11)12-6-3-7-23-12)20-21-15(10)19-16(22)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,18,19,20,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8391
PNG
(CHEMBL101804 | N-[6-(furan-2-yl)-1H-pyrazolo[3,4-b...)
Show SMILES O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1
Show InChI InChI=1S/C14H12N4O2/c19-14(8-3-4-8)16-13-9-5-6-10(11-2-1-7-20-11)15-12(9)17-18-13/h1-2,5-8H,3-4H2,(H2,15,16,17,18,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8392
PNG
(CHEMBL408564 | N-[5-bromo-6-(furan-2-yl)-1H-pyrazo...)
Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1
Show InChI InChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8393
PNG
(CHEMBL261690 | N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-...)
Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1nccs1
Show InChI InChI=1S/C13H10BrN5OS/c14-8-5-7-10(16-9(8)13-15-3-4-21-13)18-19-11(7)17-12(20)6-1-2-6/h3-6H,1-2H2,(H2,16,17,18,19,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8394
PNG
(CHEMBL406644 | N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-...)
Show SMILES Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1nccs1
Show InChI InChI=1S/C15H14BrN5OS/c16-10-7-9-12(18-11(10)15-17-5-6-23-15)20-21-13(9)19-14(22)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8396
PNG
(1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4...)
Show SMILES Brc1cc2c(NC(=O)C3CCN(Cc4ccccc4)C3)n[nH]c2nc1-c1ccco1
Show InChI InChI=1S/C22H20BrN5O2/c23-17-11-16-20(24-19(17)18-7-4-10-30-18)26-27-21(16)25-22(29)15-8-9-28(13-15)12-14-5-2-1-3-6-14/h1-7,10-11,15H,8-9,12-13H2,(H2,24,25,26,27,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8353
PNG
(6-aryl-pyrazolo[3,4-b]pyridine analogue 17 | CHEMB...)
Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccccc1
Show InChI InChI=1S/C16H13BrN4O/c17-12-8-11-14(18-13(12)9-4-2-1-3-5-9)20-21-15(11)19-16(22)10-6-7-10/h1-5,8,10H,6-7H2,(H2,18,19,20,21,22)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8395
PNG
(CHEMBL101747 | N-[5-bromo-6-(thiophen-2-yl)-1H-pyr...)
Show SMILES CCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1
Show InChI InChI=1S/C19H22BrN5OS/c1-2-25-7-5-12(6-8-25)10-16(26)21-18-13-11-14(20)17(15-4-3-9-27-15)22-19(13)24-23-18/h3-4,9,11-12H,2,5-8,10H2,1H3,(H2,21,22,23,24,26)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 43: 949-57 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.016
BindingDB Entry DOI: 10.7270/Q2RJ4J8P
More data for this
Ligand-Target Pair