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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'hanus' and Initial = 'j'   
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 1


(Homo sapiens (Human))
BDBM50132192
PNG
(CHEMBL102871 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(1.38,-4.56,;2.41,-3.41,;3.9,-3.73,;1.92,-1.94,;2.85,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-4.88,.09,;-6.2,.86,;-7.55,.09,;-8.88,.86,;-7.55,-1.45,;-6.22,-2.22,;-.88,-2.24,;.45,-1.47,)|
Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-16-5-3-4-13(21)10-16)26-20(27-19(17)28)25-15-8-6-14(22)7-9-15/h3-5,10-12,14-15H,6-9,22H2,1-2H3,(H2,24,25,26,27)
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n/an/a 30n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent 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 200n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent 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 450n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM7585
PNG
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
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)
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n/an/a 650n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056163
PNG
((S)-2-(6-(benzylamino)-9-isopropyl-9H-purin-2-ylam...)
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-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056169
PNG
(1-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-p...)
Show SMILES CC(O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C18H24N6O/c1-12(2)24-11-21-15-16(19-10-14-7-5-4-6-8-14)22-18(23-17(15)24)20-9-13(3)25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,20,22,23)
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n/an/a 900n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM10636
PNG
(2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C17H22N6O/c1-12(2)23-11-20-14-15(19-10-13-6-4-3-5-7-13)21-17(18-8-9-24)22-16(14)23/h3-7,11-12,24H,8-10H2,1-2H3,(H2,18,19,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056159
PNG
(2-[6-(Cyclohexyl-methyl-amino)-9-methyl-9H-purin-2...)
Show SMILES CN(C1CCCCC1)c1nc(NCCO)nc2n(C)cnc12
Show InChI InChI=1S/C15H24N6O/c1-20-10-17-12-13(20)18-15(16-8-9-22)19-14(12)21(2)11-6-4-3-5-7-11/h10-11,22H,3-9H2,1-2H3,(H,16,18,19)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132199
PNG
(3-{[8-Chloro-2-(1-hydroxymethyl-propylamino)-9-iso...)
Show SMILES CCC(CO)Nc1nc(NCc2cccc(O)c2)c2nc(Cl)n(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O2/c1-4-13(10-27)22-19-24-16(21-9-12-6-5-7-14(28)8-12)15-17(25-19)26(11(2)3)18(20)23-15/h5-8,11,13,27-28H,4,9-10H2,1-3H3,(H2,21,22,24,25)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056177
PNG
(2-[6-Benzylamino-2-(2-hydroxy-ethylamino)-purin-9-...)
Show SMILES OCCNc1nc(NCc2ccccc2)c2ncn(CCO)c2n1
Show InChI InChI=1S/C16H20N6O2/c23-8-6-17-16-20-14(18-10-12-4-2-1-3-5-12)13-15(21-16)22(7-9-24)11-19-13/h1-5,11,23-24H,6-10H2,(H2,17,18,20,21)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132196
PNG
(2-(6-Benzylamino-9-isopropyl-8-methyl-9H-purin-2-y...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(C)n(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(13(2)3)14(4)22-17/h6-10,13,16,27H,5,11-12H2,1-4H3,(H2,21,23,24,25)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132197
PNG
(2-(6-Benzylamino-9-isopropyl-8-mercapto-9H-purin-2...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=S)n(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6OS/c1-4-14(11-26)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(27)22-15/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,22,27)(H2,20,21,23,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056174
PNG
(Benzyl-(2-chloro-9-methyl-9H-purin-6-yl)-amine | C...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C13H12ClN5/c1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,17,18)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132193
PNG
(2-[8-Chloro-6-(3-chloro-phenylamino)-9-isopropyl-9...)
Show SMILES CC(C)C(CO)Nc1nc(Nc2cccc(Cl)c2)c2nc(Cl)n(C(C)C)c2n1
Show InChI InChI=1S/C19H24Cl2N6O/c1-10(2)14(9-28)23-19-25-16(22-13-7-5-6-12(20)8-13)15-17(26-19)27(11(3)4)18(21)24-15/h5-8,10-11,14,28H,9H2,1-4H3,(H2,22,23,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132198
PNG
(CHEMBL103567 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)
Show SMILES CC(C)n1c(C)nc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(3.9,-3.73,;2.41,-3.41,;1.38,-4.56,;1.92,-1.94,;2.85,-.68,;4.39,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-6.22,-2.22,;-7.55,-1.45,;-7.55,.09,;-8.88,.86,;-6.2,.86,;-4.88,.09,;-.88,-2.24,;.45,-1.47,)|
Show InChI InChI=1S/C21H28ClN7/c1-12(2)29-13(3)24-18-19(25-17-6-4-5-14(22)11-17)27-21(28-20(18)29)26-16-9-7-15(23)8-10-16/h4-6,11-12,15-16H,7-10,23H2,1-3H3,(H2,25,26,27,28)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132189
PNG
(2-(6-Benzylamino-9-isopropyl-8-nitro-9H-purin-2-yl...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(n(C(C)C)c2n1)[N+]([O-])=O
Show InChI InChI=1S/C19H25N7O3/c1-4-14(11-27)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(22-15)26(28)29/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,20,21,23,24)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056168
PNG
(Benzyl-(2-chloro-9-isopropyl-9H-purin-6-yl)-amine ...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C15H16ClN5/c1-10(2)21-9-18-12-13(19-15(16)20-14(12)21)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19,20)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132190
PNG
(2-(6-Benzylamino-8-chloro-9-isopropyl-9H-purin-2-y...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Cl)n(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,21,22,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056164
PNG
(2-(6-Benzylamino-9H-purin-2-ylamino)-ethanol | CHE...)
Show SMILES OCCNc1nc(NCc2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H16N6O/c21-7-6-15-14-19-12(11-13(20-14)18-9-17-11)16-8-10-4-2-1-3-5-10/h1-5,9,21H,6-8H2,(H3,15,16,17,18,19,20)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056170
PNG
(CHEMBL337454 | N*6*-Benzyl-9-methyl-9H-purine-2,6-...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(N)nc12
Show InChI InChI=1S/C13H14N6/c1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,14,15,17,18)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056176
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-(3-methyl-but-2-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#7]-c1nc(Cl)nc2n(-[#6])cnc12
Show InChI InChI=1S/C11H14ClN5/c1-7(2)4-5-13-9-8-10(16-11(12)15-9)17(3)6-14-8/h4,6H,5H2,1-3H3,(H,13,15,16)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056160
PNG
(Benzyl-(9-methyl-9H-purin-6-yl)-amine | CHEMBL1310...)
Show SMILES Cn1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C13H13N5/c1-18-9-17-11-12(15-8-16-13(11)18)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056172
PNG
(2-(6-Amino-9-methyl-9H-purin-2-ylamino)-ethanol | ...)
Show SMILES Cn1cnc2c(N)nc(NCCO)nc12
Show InChI InChI=1S/C8H12N6O/c1-14-4-11-5-6(9)12-8(10-2-3-15)13-7(5)14/h4,15H,2-3H2,1H3,(H3,9,10,12,13)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132195
PNG
(6-Benzylamino-2-(1-hydroxymethyl-propylamino)-9-is...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=O)n(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O2/c1-4-14(11-26)21-18-23-16(20-10-13-8-6-5-7-9-13)15-17(24-18)25(12(2)3)19(27)22-15/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,22,27)(H2,20,21,23,24)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056165
PNG
(2-[9-Methyl-6-(3-methyl-but-2-enylamino)-9H-purin-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1nc(-[#7]-[#6]-[#6]-[#8])nc2n(-[#6])cnc12
Show InChI InChI=1S/C13H20N6O/c1-9(2)4-5-14-11-10-12(19(3)8-16-10)18-13(17-11)15-6-7-20/h4,8,20H,5-7H2,1-3H3,(H2,14,15,17,18)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132188
PNG
(2-(8-Amino-6-benzylamino-9-isopropyl-9H-purin-2-yl...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(N)n(C(C)C)c2n1
Show InChI InChI=1S/C19H27N7O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,20,23)(H2,21,22,24,25)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50009702
PNG
(2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...)
Show SMILES Cn1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056167
PNG
(CHEMBL133214 | N*6*-Benzyl-9H-purine-2,6-diamine)
Show SMILES Nc1nc(NCc2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H12N6/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,15,16,17,18)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132191
PNG
(2-(6-Benzylamino-8-bromo-9-isopropyl-9H-purin-2-yl...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Br)n(C(C)C)c2n1
Show InChI InChI=1S/C19H25BrN6O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,21,22,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50208879
PNG
(2,6-diaminopurine | 9H-Purine-2,6-diamine0.5M H2SO...)
Show SMILES Nc1nc(N)c2[nH]cnc2n1
Show InChI InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of purified Cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis (precipitation at the higher concentra...


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132194
PNG
(2-[6-Benzylamino-8-(3-hydroxy-propylamino)-9-isopr...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2nc(NCCCO)n(C(C)C)c2n1
Show InChI InChI=1S/C22H33N7O2/c1-4-17(14-31)25-21-27-19(24-13-16-9-6-5-7-10-16)18-20(28-21)29(15(2)3)22(26-18)23-11-8-12-30/h5-7,9-10,15,17,30-31H,4,8,11-14H2,1-3H3,(H,23,26)(H2,24,25,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132200
PNG
(2-(6-Benzylamino-9-isopropyl-8-propoxy-9H-purin-2-...)
Show SMILES CCCOc1nc2c(NCc3ccccc3)nc(NC(CC)CO)nc2n1C(C)C
Show InChI InChI=1S/C22H32N6O2/c1-5-12-30-22-25-18-19(23-13-16-10-8-7-9-11-16)26-21(24-17(6-2)14-29)27-20(18)28(22)15(3)4/h7-11,15,17,29H,5-6,12-14H2,1-4H3,(H2,23,24,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056173
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-cyclohexyl-methy...)
Show SMILES CN(C1CCCCC1)c1nc(Cl)nc2n(C)cnc12
Show InChI InChI=1S/C13H18ClN5/c1-18-8-15-10-11(18)16-13(14)17-12(10)19(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
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n/an/a 1.30E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM33218
PNG
(Adenine, 1 | CHEMBL226345 | purine, 6)
Show SMILES Nc1ncnc2nc[nH]c12
Show InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056161
PNG
(2-(6-Amino-9H-purin-2-ylamino)-ethanol | CHEMBL130...)
Show SMILES Nc1nc(NCCO)nc2nc[nH]c12
Show InChI InChI=1S/C7H10N6O/c8-5-4-6(11-3-10-4)13-7(12-5)9-1-2-14/h3,14H,1-2H2,(H4,8,9,10,11,12,13)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205363
PNG
(6-(benzylamino)purine | 6-BAP | 6-[(phenylmethyl)a...)
Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056162
PNG
(Benzyl-(3-methyl-3,9-dihydro-2H-purin-6-yl)-amine ...)
Show SMILES CN1CN=C(NCc2ccccc2)c2[nH]cnc12 |t:3|
Show InChI InChI=1S/C13H15N5/c1-18-9-17-12(11-13(18)16-8-15-11)14-7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H,14,17)(H,15,16)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50030961
PNG
(2-Methyl-9H-purin-6-ylamine | CHEMBL330897)
Show SMILES Cc1nc(N)c2[nH]cnc2n1
Show InChI InChI=1S/C6H7N5/c1-3-10-5(7)4-6(11-3)9-2-8-4/h2H,1H3,(H3,7,8,9,10,11)
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n/an/a 3.20E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50009685
PNG
(9-METHYL-9H-PURIN-6-AMINE | 9-Methyl-9H-adenine | ...)
Show SMILES Cn1cnc2c(N)ncnc12
Show InChI InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)
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n/an/a>3.50E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of purified Cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis (precipitation at the higher concentra...


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056171
PNG
(3-Methyl-3,9-dihydro-2H-purin-6-ylamine | CHEMBL13...)
Show SMILES CN1CN=C(N)c2[nH]cnc12 |t:3|
Show InChI InChI=1S/C6H9N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2H,3H2,1H3,(H2,7,10)(H,8,9)
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n/an/a 4.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056175
PNG
(7-Methyl-8,9-dihydro-7H-purin-6-ylamine | CHEMBL33...)
Show SMILES CN1CNc2ncnc(N)c12
Show InChI InChI=1S/C6H9N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2H,3H2,1H3,(H3,7,8,9,10)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056181
PNG
(Benzyl-(1-methyl-6,9-dihydro-1H-purin-6-yl)-amine ...)
Show SMILES CN1C=Nc2nc[nH]c2C1NCc1ccccc1 |c:2|
Show InChI InChI=1S/C13H15N5/c1-18-9-17-12-11(15-8-16-12)13(18)14-7-10-5-3-2-4-6-10/h2-6,8-9,13-14H,7H2,1H3,(H,15,16)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056180
PNG
(2-Chloro-9H-purin-6-ylamine | CHEMBL134192 | EN300...)
Show SMILES Nc1nc(Cl)nc2nc[nH]c12
Show InChI InChI=1S/C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of purified Cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis (precipitation at the higher concentra...


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056179
PNG
(Benzyl-(7-methyl-8,9-dihydro-7H-purin-6-yl)-amine ...)
Show SMILES CN1CNc2ncnc(NCc3ccccc3)c12
Show InChI InChI=1S/C13H15N5/c1-18-9-17-13-11(18)12(15-8-16-13)14-7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H2,14,15,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50056166
PNG
(1-Methyl-6,9-dihydro-1H-purin-6-ylamine | 1-Methyl...)
Show SMILES CN1C=Nc2nc[nH]c2C1N |c:2|
Show InChI InChI=1S/C6H9N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,5H,7H2,1H3,(H,8,9)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair