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PubMed code 20141146

Compile Data Set for Download or QSAR

Found 234 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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307546
PNG
(CHEMBL598401 | Ethyl 4-[(3-Carbamoyl-1-methyl-4,5-...)
Show SMILES CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C25H34N8O4/c1-3-37-25(36)33-10-6-15(7-11-33)23(35)32-12-8-17(9-13-32)28-24-27-14-16-4-5-18-20(22(26)34)30-31(2)21(18)19(16)29-24/h14-15,17H,3-13H2,1-2H3,(H2,26,34)(H,27,28,29)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307543
PNG
(1-Methyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(C)(=O)=O)nc3-c12
Show InChI InChI=1S/C23H32N8O4S/c1-29-20-17(19(28-29)21(24)32)4-3-15-13-25-23(27-18(15)20)26-16-7-9-30(10-8-16)22(33)14-5-11-31(12-6-14)36(2,34)35/h13-14,16H,3-12H2,1-2H3,(H2,24,32)(H,25,26,27)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307522
PNG
(8-(Cyclopentylamino)-1-methyl-4,5-dihydro-1H-pyraz...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
Show InChI InChI=1S/C16H20N6O/c1-22-14-11(13(21-22)15(17)23)7-6-9-8-18-16(20-12(9)14)19-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H2,17,23)(H,18,19,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307535
PNG
(8-[(1-Acetylpiperidin-4-yl)amino]-1-methyl-4,5-dih...)
Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H23N7O2/c1-10(26)25-7-5-12(6-8-25)21-18-20-9-11-3-4-13-15(17(19)27)23-24(2)16(13)14(11)22-18/h9,12H,3-8H2,1-2H3,(H2,19,27)(H,20,21,22)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307507
PNG
(CHEMBL597754 | N-1-Dimethyl-8-{[1-(methylsulfonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
Show InChI InChI=1S/C24H34N8O4S/c1-25-22(33)20-18-5-4-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-8-10-31(11-9-17)23(34)15-6-12-32(13-7-15)37(3,35)36/h14-15,17H,4-13H2,1-3H3,(H,25,33)(H,26,27,28)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307506
PNG
(1-Methyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Show InChI InChI=1S/C23H25N7O2/c1-29-20-17(19(28-29)21(24)31)8-7-15-13-25-23(27-18(15)20)26-16-9-11-30(12-10-16)22(32)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H2,24,31)(H,25,26,27)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307520
PNG
(8-(Cyclohexylamino)-1-methyl-4,5-dihydro-1H-pyrazo...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCCCC4)nc3-c12
Show InChI InChI=1S/C17H22N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,18,24)(H,19,20,21)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307545
PNG
(1-Methyl-8-{[1-(phenylsulfonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(=O)(=O)c4ccccc4)nc3-c12
Show InChI InChI=1S/C28H34N8O4S/c1-34-25-22(24(33-34)26(29)37)8-7-19-17-30-28(32-23(19)25)31-20-11-13-35(14-12-20)27(38)18-9-15-36(16-10-18)41(39,40)21-5-3-2-4-6-21/h2-6,17-18,20H,7-16H2,1H3,(H2,29,37)(H,30,31,32)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307538
PNG
(8-(Cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dih...)
Show SMILES NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H23N7O3S/c22-20(29)18-16-10-5-12-11-24-21(25-13-3-1-2-4-13)26-17(12)19(16)28(27-18)14-6-8-15(9-7-14)32(23,30)31/h6-9,11,13H,1-5,10H2,(H2,22,29)(H2,23,30,31)(H,24,25,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307529
PNG
(8-(Cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-...)
Show SMILES NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)8-26-14-11(13(25-26)15(21)27)6-5-9-7-22-16(24-12(9)14)23-10-3-1-2-4-10/h7,10H,1-6,8H2,(H2,21,27)(H,22,23,24)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307509
PNG
(CHEMBL592272 | N-1-Dimethyl-8-{[1-(phenylsulfonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3)nc-21
Show InChI InChI=1S/C29H36N8O4S/c1-30-27(38)25-23-9-8-20-18-31-29(33-24(20)26(23)35(2)34-25)32-21-12-14-36(15-13-21)28(39)19-10-16-37(17-11-19)42(40,41)22-6-4-3-5-7-22/h3-7,18-19,21H,8-17H2,1-2H3,(H,30,38)(H,31,32,33)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50307535
PNG
(8-[(1-Acetylpiperidin-4-yl)amino]-1-methyl-4,5-dih...)
Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H23N7O2/c1-10(26)25-7-5-12(6-8-25)21-18-20-9-11-3-4-13-15(17(19)27)23-24(2)16(13)14(11)22-18/h9,12H,3-8H2,1-2H3,(H2,19,27)(H,20,21,22)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307553
PNG
(8-(Cyclopentylamino)-1-(4-methoxyphenyl)-4,5-dihyd...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
Show InChI InChI=1S/C22H24N6O2/c1-30-16-9-7-15(8-10-16)28-20-17(19(27-28)21(23)29)11-6-13-12-24-22(26-18(13)20)25-14-4-2-3-5-14/h7-10,12,14H,2-6,11H2,1H3,(H2,23,29)(H,24,25,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50307507
PNG
(CHEMBL597754 | N-1-Dimethyl-8-{[1-(methylsulfonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
Show InChI InChI=1S/C24H34N8O4S/c1-25-22(33)20-18-5-4-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-8-10-31(11-9-17)23(34)15-6-12-32(13-7-15)37(3,35)36/h14-15,17H,4-13H2,1-3H3,(H,25,33)(H,26,27,28)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307530
PNG
(8-(Cyclopentylamino)-1-(1-methylpiperidin-4-yl)-4,...)
Show SMILES CN1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
Show InChI InChI=1S/C21H29N7O/c1-27-10-8-15(9-11-27)28-19-16(18(26-28)20(22)29)7-6-13-12-23-21(25-17(13)19)24-14-4-2-3-5-14/h12,14-15H,2-11H2,1H3,(H2,22,29)(H,23,24,25)
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Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50307507
PNG
(CHEMBL597754 | N-1-Dimethyl-8-{[1-(methylsulfonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
Show InChI InChI=1S/C24H34N8O4S/c1-25-22(33)20-18-5-4-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-8-10-31(11-9-17)23(34)15-6-12-32(13-7-15)37(3,35)36/h14-15,17H,4-13H2,1-3H3,(H,25,33)(H,26,27,28)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50307506
PNG
(1-Methyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Show InChI InChI=1S/C23H25N7O2/c1-29-20-17(19(28-29)21(24)31)8-7-15-13-25-23(27-18(15)20)26-16-9-11-30(12-10-16)22(32)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H2,24,31)(H,25,26,27)
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Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50307535
PNG
(8-[(1-Acetylpiperidin-4-yl)amino]-1-methyl-4,5-dih...)
Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H23N7O2/c1-10(26)25-7-5-12(6-8-25)21-18-20-9-11-3-4-13-15(17(19)27)23-24(2)16(13)14(11)22-18/h9,12H,3-8H2,1-2H3,(H2,19,27)(H,20,21,22)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307550
PNG
(1-(1-Acetylpiperidin-4-yl)-8-(cyclopentylamino)-4,...)
Show SMILES CC(=O)N1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
Show InChI InChI=1S/C22H29N7O2/c1-13(30)28-10-8-16(9-11-28)29-20-17(19(27-29)21(23)31)7-6-14-12-24-22(26-18(14)20)25-15-4-2-3-5-15/h12,15-16H,2-11H2,1H3,(H2,23,31)(H,24,25,26)
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n/an/a 7n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307516
PNG
(8-(Cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydr...)
Show SMILES NC(=O)c1nn(CCO)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C17H22N6O2/c18-16(25)14-12-6-5-10-9-19-17(20-11-3-1-2-4-11)21-13(10)15(12)23(22-14)7-8-24/h9,11,24H,1-8H2,(H2,18,25)(H,19,20,21)
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n/an/a 8n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50307507
PNG
(CHEMBL597754 | N-1-Dimethyl-8-{[1-(methylsulfonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
Show InChI InChI=1S/C24H34N8O4S/c1-25-22(33)20-18-5-4-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-8-10-31(11-9-17)23(34)15-6-12-32(13-7-15)37(3,35)36/h14-15,17H,4-13H2,1-3H3,(H,25,33)(H,26,27,28)
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n/an/a 8n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50307535
PNG
(8-[(1-Acetylpiperidin-4-yl)amino]-1-methyl-4,5-dih...)
Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H23N7O2/c1-10(26)25-7-5-12(6-8-25)21-18-20-9-11-3-4-13-15(17(19)27)23-24(2)16(13)14(11)22-18/h9,12H,3-8H2,1-2H3,(H2,19,27)(H,20,21,22)
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n/an/a 9n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50307506
PNG
(1-Methyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Show InChI InChI=1S/C23H25N7O2/c1-29-20-17(19(28-29)21(24)31)8-7-15-13-25-23(27-18(15)20)26-16-9-11-30(12-10-16)22(32)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H2,24,31)(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307515
PNG
(1-Methyl-8-({1-[(4-methylpiperazin-1-yl)carbonyl]p...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C22H31N9O2/c1-28-9-11-31(12-10-28)22(33)30-7-5-15(6-8-30)25-21-24-13-14-3-4-16-18(20(23)32)27-29(2)19(16)17(14)26-21/h13,15H,3-12H2,1-2H3,(H2,23,32)(H,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307539
PNG
(8-{[4-(Acetylamino)benzyl]amino}-1-methyl-4,5-dihy...)
Show SMILES CC(=O)Nc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C20H21N7O2/c1-11(28)24-14-6-3-12(4-7-14)9-22-20-23-10-13-5-8-15-17(19(21)29)26-27(2)18(15)16(13)25-20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,21,29)(H,24,28)(H,22,23,25)
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n/an/a 13n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50307506
PNG
(1-Methyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Show InChI InChI=1S/C23H25N7O2/c1-29-20-17(19(28-29)21(24)31)8-7-15-13-25-23(27-18(15)20)26-16-9-11-30(12-10-16)22(32)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H2,24,31)(H,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307544
PNG
(1-Methyl-8-{[4-(4-methylpiperazin-1-yl)benzyl]amin...)
Show SMILES CN1CCN(CC1)c1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C23H28N8O/c1-29-9-11-31(12-10-29)17-6-3-15(4-7-17)13-25-23-26-14-16-5-8-18-20(22(24)32)28-30(2)21(18)19(16)27-23/h3-4,6-7,14H,5,8-13H2,1-2H3,(H2,24,32)(H,25,26,27)
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n/an/a 17n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307513
PNG
(8-[(2-Hydroxyethyl)amino]-1-methyl-4,5-dihydro-1H-...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCCO)nc3-c12
Show InChI InChI=1S/C13H16N6O2/c1-19-11-8(10(18-19)12(14)21)3-2-7-6-16-13(15-4-5-20)17-9(7)11/h6,20H,2-5H2,1H3,(H2,14,21)(H,15,16,17)
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n/an/a 19n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307511
PNG
(8-(Cyclopentylamino)-1-phenyl-4,5-dihydro-1H-pyraz...)
Show SMILES NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccc1
Show InChI InChI=1S/C21H22N6O/c22-20(28)18-16-11-10-13-12-23-21(24-14-6-4-5-7-14)25-17(13)19(16)27(26-18)15-8-2-1-3-9-15/h1-3,8-9,12,14H,4-7,10-11H2,(H2,22,28)(H,23,24,25)
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n/an/a 20n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307549
PNG
(1-Methyl-8-[(pyridin-4-ylmethyl)amino]-4,5-dihydro...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccncc4)nc3-c12
Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)3-2-11-9-21-17(22-13(11)15)20-8-10-4-6-19-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,18,25)(H,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307552
PNG
(1-Methyl-8-[(pyridin-3-ylmethyl)amino]-4,5-dihydro...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4cccnc4)nc3-c12
Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)5-4-11-9-21-17(22-13(11)15)20-8-10-3-2-6-19-7-10/h2-3,6-7,9H,4-5,8H2,1H3,(H2,18,25)(H,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307527
PNG
(1-Benzyl-8-(cyclopentylamino)-4,5-dihydro-1H-pyraz...)
Show SMILES NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C22H24N6O/c23-21(29)19-17-11-10-15-12-24-22(25-16-8-4-5-9-16)26-18(15)20(17)28(27-19)13-14-6-2-1-3-7-14/h1-3,6-7,12,16H,4-5,8-11,13H2,(H2,23,29)(H,24,25,26)
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n/an/a 23n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307537
PNG
(CHEMBL606409 | N-1-Dimethyl-8-{[1-(phenylcarbonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21
Show InChI InChI=1S/C24H27N7O2/c1-25-22(32)20-18-9-8-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-10-12-31(13-11-17)23(33)15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3,(H,25,32)(H,26,27,28)
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n/an/a 25n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50307535
PNG
(8-[(1-Acetylpiperidin-4-yl)amino]-1-methyl-4,5-dih...)
Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H23N7O2/c1-10(26)25-7-5-12(6-8-25)21-18-20-9-11-3-4-13-15(17(19)27)23-24(2)16(13)14(11)22-18/h9,12H,3-8H2,1-2H3,(H2,19,27)(H,20,21,22)
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n/an/a 28n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307536
PNG
(8-[(1-Acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(C)=O)nc-21
Show InChI InChI=1S/C19H25N7O2/c1-11(27)26-8-6-13(7-9-26)22-19-21-10-12-4-5-14-16(18(28)20-2)24-25(3)17(14)15(12)23-19/h10,13H,4-9H2,1-3H3,(H,20,28)(H,21,22,23)
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n/an/a 32n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307540
PNG
(1-Methyl-8-{[4-(methylsulfonyl)benzyl]amino}-4,5-d...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(cc4)S(C)(=O)=O)nc3-c12
Show InChI InChI=1S/C19H20N6O3S/c1-25-17-14(16(24-25)18(20)26)8-5-12-10-22-19(23-15(12)17)21-9-11-3-6-13(7-4-11)29(2,27)28/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,20,26)(H,21,22,23)
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n/an/a 38n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307532
PNG
(8-(Cyclohexylamino)-N-1-dimethyl-4,5-dihydro-1H-py...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCCC3)nc-21
Show InChI InChI=1S/C18H24N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h10,12H,3-9H2,1-2H3,(H,19,25)(H,20,21,22)
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n/an/a 39n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50307506
PNG
(1-Methyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Show InChI InChI=1S/C23H25N7O2/c1-29-20-17(19(28-29)21(24)31)8-7-15-13-25-23(27-18(15)20)26-16-9-11-30(12-10-16)22(32)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H2,24,31)(H,25,26,27)
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n/an/a 48n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307541
PNG
(8-(Benzylamino)-1-methyl-4,5-dihydro-1H-pyrazolo[4...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccc4)nc3-c12
Show InChI InChI=1S/C18H18N6O/c1-24-16-13(15(23-24)17(19)25)8-7-12-10-21-18(22-14(12)16)20-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,19,25)(H,20,21,22)
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n/an/a 51n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307528
PNG
(8-(Cyclopentylamino)-1-(pyridin-2-yl)-4,5-dihydro-...)
Show SMILES NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccn1
Show InChI InChI=1S/C20H21N7O/c21-19(28)17-14-9-8-12-11-23-20(24-13-5-1-2-6-13)25-16(12)18(14)27(26-17)15-7-3-4-10-22-15/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H2,21,28)(H,23,24,25)
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n/an/a 52n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307555
PNG
(CHEMBL597379 | Ethyl 4-{[1-Methyl-3-(methylcarbamo...)
Show SMILES CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(=O)NC
Show InChI InChI=1S/C26H36N8O4/c1-4-38-26(37)34-11-7-16(8-12-34)24(36)33-13-9-18(10-14-33)29-25-28-15-17-5-6-19-21(23(35)27-2)31-32(3)22(19)20(17)30-25/h15-16,18H,4-14H2,1-3H3,(H,27,35)(H,28,29,30)
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n/an/a 58n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307547
PNG
(8-[(4-Methoxybenzyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C19H20N6O2/c1-25-17-14(16(24-25)18(20)26)8-5-12-10-22-19(23-15(12)17)21-9-11-3-6-13(27-2)7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,20,26)(H,21,22,23)
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n/an/a 58n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307531
PNG
(8-(Cyclopentylamino)-N-methyl-1-(1-methylpiperidin...)
Show SMILES CNC(=O)c1nn(C2CCN(C)CC2)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C22H31N7O/c1-23-21(30)19-17-8-7-14-13-24-22(25-15-5-3-4-6-15)26-18(14)20(17)29(27-19)16-9-11-28(2)12-10-16/h13,15-16H,3-12H2,1-2H3,(H,23,30)(H,24,25,26)
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n/an/a 59n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307542
PNG
(8-[(3-Methoxybenzyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1cccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C19H20N6O2/c1-25-17-14(16(24-25)18(20)26)7-6-12-10-22-19(23-15(12)17)21-9-11-4-3-5-13(8-11)27-2/h3-5,8,10H,6-7,9H2,1-2H3,(H2,20,26)(H,21,22,23)
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n/an/a 66n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307548
PNG
(8-[(4-Bromobenzyl)amino]-1-methyl-4,5-dihydro-1H-p...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccc(Br)cc4)nc3-c12
Show InChI InChI=1S/C18H17BrN6O/c1-25-16-13(15(24-25)17(20)26)7-4-11-9-22-18(23-14(11)16)21-8-10-2-5-12(19)6-3-10/h2-3,5-6,9H,4,7-8H2,1H3,(H2,20,26)(H,21,22,23)
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n/an/a 81n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307514
PNG
(1-Methyl-8-[(pyridin-2-ylmethyl)amino]-4,5-dihydro...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NCc4ccccn4)nc3-c12
Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)6-5-10-8-20-17(22-13(10)15)21-9-11-4-2-3-7-19-11/h2-4,7-8H,5-6,9H2,1H3,(H2,18,25)(H,20,21,22)
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n/an/a 87n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307523
PNG
(8-(Cyclopentylamino)-N-1-dimethyl-4,5-dihydro-1H-p...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C17H22N6O/c1-18-16(24)14-12-8-7-10-9-19-17(20-11-5-3-4-6-11)21-13(10)15(12)23(2)22-14/h9,11H,3-8H2,1-2H3,(H,18,24)(H,19,20,21)
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n/an/a 97n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307551
PNG
(1-Methyl-8-{[3-(4-methylpiperazin-1-yl)benzyl]amin...)
Show SMILES CN1CCN(CC1)c1cccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C23H28N8O/c1-29-8-10-31(11-9-29)17-5-3-4-15(12-17)13-25-23-26-14-16-6-7-18-20(22(24)32)28-30(2)21(18)19(16)27-23/h3-5,12,14H,6-11,13H2,1-2H3,(H2,24,32)(H,25,26,27)
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n/an/a 104n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307521
PNG
(8-[(1-Ethylpiperidin-4-yl)amino]-1-methyl-4,5-dihy...)
Show SMILES CCN1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H25N7O/c1-3-25-8-6-12(7-9-25)21-18-20-10-11-4-5-13-15(17(19)26)23-24(2)16(13)14(11)22-18/h10,12H,3-9H2,1-2H3,(H2,19,26)(H,20,21,22)
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n/an/a 149n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50307508
PNG
(8-(Cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-di...)
Show SMILES CN(O)C(=O)c1nn(C)c-2c1CCc1cnc(NC3CCCC3)nc-21
Show InChI InChI=1S/C17H22N6O2/c1-22-15-12(14(21-22)16(24)23(2)25)8-7-10-9-18-17(20-13(10)15)19-11-5-3-4-6-11/h9,11,25H,3-8H2,1-2H3,(H,18,19,20)
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n/an/a 175n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 234 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%