Found 160 hits with Last Name = 'havlícek' and Initial = 'l' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50366800
(OLOMOUCINE II)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50132192
(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) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50341878
((2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazo...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1 | PDB
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Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK2/cyclin E |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM27216
((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 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM27216
((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 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/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/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM10642
(2-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...)Show SMILES CC(C)C(CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-12(2)15(10-27)23-20-24-18(21-9-14-7-5-6-8-16(14)28)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,15,27-28H,9-10H2,1-4H3,(H2,21,23,24,25) | PDB
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Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50120508
(2-(3-hydroxypropylamino)-6-(o -hydroxybenzylamino)...)Show InChI InChI=1S/C18H24N6O2/c1-12(2)24-11-21-15-16(20-10-13-6-3-4-7-14(13)26)22-18(23-17(15)24)19-8-5-9-25/h3-4,6-7,11-12,25-26H,5,8-10H2,1-2H3,(H2,19,20,22,23) | PDB
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Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM10635
(3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...)Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25) | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50120510
(4-{[2-(1-Hydroxymethyl-2-methyl-propylamino)-9-iso...)Show SMILES CC(C)C(CO)Nc1nc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-5-7-15(28)8-6-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25) | PDB
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Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50341878
((2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazo...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1 | PDB
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Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK7/cyclin H/MAT1 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50120512
(3-{[2-(1-Hydroxymethyl-propylamino)-9-isopropyl-9H...)Show SMILES CCC(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-6-5-7-15(27)8-13)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24) | PDB
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Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50341878
((2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazo...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p35 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7533
((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 | PDB
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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 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7533
((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 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK2/cyclin E |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50120507
(4-{[2-(1-Hydroxymethyl-propylamino)-9-isopropyl-9H...)Show SMILES CCC(CO)Nc1nc(NCc2ccc(O)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-5-7-15(27)8-6-13)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24) | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132175
(2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-5-3-4-6-11(10)21/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7533
((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 | PDB
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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/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM7533
((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 | PDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM7533
((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 | PDB
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK7/cyclin H/MAT1 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7585
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)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) | PDB
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| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
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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/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132169
((3-Chloro-phenyl)-(3-isopropyl-1H-pyrazolo[4,3-d]p...)Show InChI InChI=1S/C14H14ClN5/c1-8(2)11-12-13(20-19-11)14(17-7-16-12)18-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,19,20)(H,16,17,18) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50056169
(1-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-p...)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) | PDB
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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 5 activator 1
(Homo sapiens (Human)) | BDBM7533
((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 | PDB
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| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p35 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50341878
((2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazo...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK9/cyclin T1 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cytokinin dehydrogenase 2
(Arabidopsis thaliana) | BDBM50274552
(2-Fluoro-6-(3-methoxyanilino)purine | CHEMBL483378)Show InChI InChI=1S/C12H10FN5O/c1-19-8-4-2-3-7(5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H2,14,15,16,17,18) | KEGG
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IEB AS CR & Palacký University Olomouc
Curated by ChEMBL
| Assay Description
Inhibition of sArabidopsis thaliana CKX2 expressed in Saccharomyces cerevisiae 23344c ura- |
Bioorg Med Chem 16: 9268-75 (2008)
Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50120509
(3-{[2-(3-Hydroxy-propylamino)-9-isopropyl-9H-purin...)Show InChI InChI=1S/C18H24N6O2/c1-12(2)24-11-21-15-16(20-10-13-5-3-6-14(26)9-13)22-18(23-17(15)24)19-7-4-8-25/h3,5-6,9,11-12,25-26H,4,7-8,10H2,1-2H3,(H2,19,20,22,23) | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132178
(5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19) | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM10633
(3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...)Show InChI InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23) | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132185
(Benzyl-(3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-...)Show InChI InChI=1S/C15H17N5/c1-10(2)12-13-14(20-19-12)15(18-9-17-13)16-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18) | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132183
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-pen...)Show InChI InChI=1S/C13H21N5/c1-4-5-6-7-14-13-12-11(15-8-16-13)10(9(2)3)17-18-12/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16) | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132172
(3-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-4-3-5-11(21)6-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM7533
((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 | PDB
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| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK9/cyclin T1 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p
BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132179
(4-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-3-5-11(21)6-4-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cytokinin dehydrogenase 2
(Arabidopsis thaliana) | BDBM50274549
(2-Chloro-6-(3-methoxyanilino)purine | CHEMBL484383)Show InChI InChI=1S/C12H10ClN5O/c1-19-8-4-2-3-7(5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H2,14,15,16,17,18) | KEGG
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IEB AS CR & Palacký University Olomouc
Curated by ChEMBL
| Assay Description
Inhibition of sArabidopsis thaliana CKX2 expressed in Saccharomyces cerevisiae 23344c ura- |
Bioorg Med Chem 16: 9268-75 (2008)
Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM10636
(2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...)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) | PDB
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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/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132174
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(4-...)Show InChI InChI=1S/C16H19N5O/c1-10(2)13-14-15(21-20-13)16(19-9-18-14)17-8-11-4-6-12(22-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,20,21)(H,17,18,19) | PDB
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| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132167
(CHEMBL103206 | Furan-2-ylmethyl-(3-isopropyl-1H-py...)Show InChI InChI=1S/C13H15N5O/c1-8(2)10-11-12(18-17-10)13(16-7-15-11)14-6-9-4-3-5-19-9/h3-5,7-8H,6H2,1-2H3,(H,17,18)(H,14,15,16) | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50120511
(4-{[2-(3-Hydroxy-propylamino)-9-isopropyl-9H-purin...)Show InChI InChI=1S/C18H24N6O2/c1-12(2)24-11-21-15-16(20-10-13-4-6-14(26)7-5-13)22-18(23-17(15)24)19-8-3-9-25/h4-7,11-12,25-26H,3,8-10H2,1-2H3,(H2,19,20,22,23) | PDB
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| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 12: 3283-6 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8MK1 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132177
(3-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-4-3-5-12(21)6-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18) | PDB
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| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM10641
(6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...)Show InChI InChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18) | PDB
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| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cytokinin dehydrogenase 2
(Arabidopsis thaliana) | BDBM50274506
(3-(2-chloro-9H-purin-6-ylamino)phenol | CHEMBL4843...)Show InChI InChI=1S/C11H8ClN5O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-2-1-3-7(18)4-6/h1-5,18H,(H2,13,14,15,16,17) | KEGG
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| n/a | n/a | 3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IEB AS CR & Palacký University Olomouc
Curated by ChEMBL
| Assay Description
Inhibition of sArabidopsis thaliana CKX2 expressed in Saccharomyces cerevisiae 23344c ura- |
Bioorg Med Chem 16: 9268-75 (2008)
Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132176
((9-Isopropyl-9H-purin-6-yl)-(4-methoxy-benzyl)-ami...)Show InChI InChI=1S/C16H19N5O/c1-11(2)21-10-20-14-15(18-9-19-16(14)21)17-8-12-4-6-13(22-3)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,17,18,19) | PDB
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| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cytokinin dehydrogenase 2
(Arabidopsis thaliana) | BDBM50274501
(2-chloro-N-(3-chlorophenyl)-9H-purin-6-amine | CHE...)Show InChI InChI=1S/C11H7Cl2N5/c12-6-2-1-3-7(4-6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H2,14,15,16,17,18) | KEGG
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| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IEB AS CR & Palacký University Olomouc
Curated by ChEMBL
| Assay Description
Inhibition of sArabidopsis thaliana CKX2 expressed in Saccharomyces cerevisiae 23344c ura- |
Bioorg Med Chem 16: 9268-75 (2008)
Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132171
(4-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-3-5-12(21)6-4-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18) | PDB
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132170
(2-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-5-3-4-6-12(11)21/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18) | PDB
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| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132180
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(3-...)Show SMILES CC(C)c1[nH]nc2c(NCC=C(C)C)ncnc12 |(2.34,-7.59,;3.38,-6.46,;4.88,-6.77,;2.9,-5,;3.81,-3.74,;2.9,-2.48,;1.43,-2.97,;.09,-2.2,;.08,-.66,;1.42,.11,;1.41,1.65,;2.74,2.43,;2.74,3.97,;4.08,1.66,;-1.24,-2.97,;-1.24,-4.51,;.09,-5.28,;1.43,-4.51,)| Show InChI InChI=1S/C13H19N5/c1-8(2)5-6-14-13-12-11(15-7-16-13)10(9(3)4)17-18-12/h5,7,9H,6H2,1-4H3,(H,17,18)(H,14,15,16) | PDB
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Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132186
(5-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-2-meth...)Show InChI InChI=1S/C16H19N5O2/c1-10(2)21-9-20-14-15(18-8-19-16(14)21)17-7-11-4-5-13(23-3)12(22)6-11/h4-6,8-10,22H,7H2,1-3H3,(H,17,18,19) | PDB
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| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3
(Homo sapiens (Human)) | BDBM50132173
((3-Chloro-phenyl)-(9-isopropyl-9H-purin-6-yl)-amin...)Show InChI InChI=1S/C14H14ClN5/c1-9(2)20-8-18-12-13(16-7-17-14(12)20)19-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H,16,17,19) | PDB
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| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line |
Bioorg Med Chem Lett 13: 2989-92 (2003)
BindingDB Entry DOI: 10.7270/Q29Z948Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM5718
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)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) | PDB
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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