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PubMed code 16250643

Compile data set for download or QSAR
Found 30 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
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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PubMed
n/an/a 6n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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PubMed
n/an/a 400n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7470
PNG
(3-Amino-4,5-di(2-furyl)-1H-pyrazolo[3,4-c]pyridazi...)
Show SMILES Nc1n[nH]c2nnc(-c3ccco3)c(-c3ccco3)c12
Show InChI InChI=1S/C13H9N5O2/c14-12-10-9(7-3-1-5-19-7)11(8-4-2-6-20-8)15-17-13(10)18-16-12/h1-6H,(H3,14,16,17,18)
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PubMed
n/an/a 1.50E+3n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7463
PNG
(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine |...)
Show SMILES Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C17H13N5/c18-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)19-21-17(14)22-20-16/h1-10H,(H3,18,20,21,22)
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n/an/a 3.00E+3n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7476
PNG
(3-Amino-5-phenyl-1H-pyrazolo[3,4-c]pyridazine | 5-...)
Show SMILES Nc1n[nH]c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C11H9N5/c12-10-8-6-9(7-4-2-1-3-5-7)13-15-11(8)16-14-10/h1-6H,(H3,12,14,15,16)
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PubMed
n/an/a 4.00E+3n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7477
PNG
(5-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridazin-3-amine...)
Show SMILES Nc1n[nH]c2nnc(cc12)-c1ccco1
Show InChI InChI=1S/C9H7N5O/c10-8-5-4-6(7-2-1-3-15-7)11-13-9(5)14-12-8/h1-4H,(H3,10,12,13,14)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
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 7.00E+3n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7480
PNG
(1-(4,5-Diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-...)
Show SMILES CCNC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C20H18N6O/c1-2-21-20(27)22-18-16-15(13-9-5-3-6-10-13)17(14-11-7-4-8-12-14)23-25-19(16)26-24-18/h3-12H,2H2,1H3,(H3,21,22,24,25,26,27)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7482
PNG
(3-hydrazinyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyrida...)
Show SMILES NNc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C17H14N6/c18-19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)20-22-17(14)23-21-16/h1-10H,18H2,(H2,19,21,22,23)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7489
PNG
(1-Ethyl-3-[5-(2-furyl)1H-pyrazolo[3,4-c]pyridazin-...)
Show SMILES CCNC(=O)Nc1n[nH]c2nnc(cc12)-c1ccco1
Show InChI InChI=1S/C12H12N6O2/c1-2-13-12(19)14-10-7-6-8(9-4-3-5-20-9)15-17-11(7)18-16-10/h3-6H,2H2,1H3,(H3,13,14,16,17,18,19)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7481
PNG
(1-(4,5-Diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-...)
Show SMILES O=C(Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)Nc1ccccc1
Show InChI InChI=1S/C24H18N6O/c31-24(25-18-14-8-3-9-15-18)26-22-20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)27-29-23(20)30-28-22/h1-15H,(H3,25,26,28,29,30,31)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7468
PNG
(3-Amino-4,5-bis(p-methoxyphenyl)-1H-pyrazolo[3,4-c...)
Show SMILES COc1ccc(cc1)-c1nnc2[nH]nc(N)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17N5O2/c1-25-13-7-3-11(4-8-13)15-16-18(20)22-24-19(16)23-21-17(15)12-5-9-14(26-2)10-6-12/h3-10H,1-2H3,(H3,20,22,23,24)
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n/an/a 1.50E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7475
PNG
(3-Amino-4,5-bis(p-aminophenyl)-1H-pyrazolo[3,4-c]-...)
Show SMILES Nc1n[nH]c2nnc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)c12
Show InChI InChI=1S/C17H15N7/c18-11-5-1-9(2-6-11)13-14-16(20)22-24-17(14)23-21-15(13)10-3-7-12(19)8-4-10/h1-8H,18-19H2,(H3,20,22,23,24)
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n/an/a>5.00E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7486
PNG
(1-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-...)
Show SMILES Nc1nn(Cc2ccccc2)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C24H19N5/c25-23-21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)26-27-24(21)29(28-23)16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,25,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7485
PNG
(3-Acetamido-1-acetyl-4,5-diphenyl-1H-pyrazolo[3,4-...)
Show SMILES CC(=O)Nc1nn(C(C)=O)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C21H17N5O2/c1-13(27)22-20-18-17(15-9-5-3-6-10-15)19(16-11-7-4-8-12-16)23-24-21(18)26(25-20)14(2)28/h3-12H,1-2H3,(H,22,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7483
PNG
(3-Acetamide-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridaz...)
Show SMILES CC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C19H15N5O/c1-12(25)20-18-16-15(13-8-4-2-5-9-13)17(14-10-6-3-7-11-14)21-23-19(16)24-22-18/h2-11H,1H3,(H2,20,22,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7473
PNG
(3-Amino-5-methyl-4-phenyl-1H-pyrazolo[3,4-c]pyrida...)
Show SMILES Cc1nnc2[nH]nc(N)c2c1-c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-7-9(8-5-3-2-4-6-8)10-11(13)15-17-12(10)16-14-7/h2-6H,1H3,(H3,13,15,16,17)
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n/an/a>5.00E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7466
PNG
(4,5-bis(4-tert-butylphenyl)-1H-pyrazolo[3,4-c]pyri...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nnc2[nH]nc(N)c2c1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H29N5/c1-24(2,3)17-11-7-15(8-12-17)19-20-22(26)28-30-23(20)29-27-21(19)16-9-13-18(14-10-16)25(4,5)6/h7-14H,1-6H3,(H3,26,28,29,30)
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n/an/a>5.00E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7464
PNG
(3-Amino-4,5-bis(4-biphenyl)-1H-pyrazolo[3,4-c]pyri...)
Show SMILES Nc1n[nH]c2nnc(-c3ccc(cc3)-c3ccccc3)c(-c3ccc(cc3)-c3ccccc3)c12
Show InChI InChI=1S/C29H21N5/c30-28-26-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)27(31-33-29(26)34-32-28)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H3,30,32,33,34)
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n/an/a>5.00E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7465
PNG
(3-Amino-4,5-bis(p-nitrophenyl)-1H-pyrazolo[3,4-c]p...)
Show SMILES Nc1n[nH]c2nnc(-c3ccc(cc3)N(=O)=O)c(-c3ccc(cc3)N(=O)=O)c12
Show InChI InChI=1S/C17H11N7O4/c18-16-14-13(9-1-5-11(6-2-9)23(25)26)15(19-21-17(14)22-20-16)10-3-7-12(8-4-10)24(27)28/h1-8H,(H3,18,20,21,22)
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n/an/a>5.00E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7474
PNG
(4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine | Pyr...)
Show SMILES Nc1n[nH]c2nncc(-c3ccccc3)c12
Show InChI InChI=1S/C11H9N5/c12-10-9-8(7-4-2-1-3-5-7)6-13-15-11(9)16-14-10/h1-6H,(H3,12,14,15,16)
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n/an/a>5.00E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7484
PNG
(1-Acetyl-3-amino-4,5-diphenyl-1H-pyrazolo[3,4-c]py...)
Show SMILES CC(=O)n1nc(N)c2c(-c3ccccc3)c(nnc12)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-12(25)24-19-16(18(20)23-24)15(13-8-4-2-5-9-13)17(21-22-19)14-10-6-3-7-11-14/h2-11H,1H3,(H2,20,23)
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Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7479
PNG
(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-ol | Py...)
Show SMILES O=c1[nH][nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C17H12N4O/c22-17-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)18-19-16(14)20-21-17/h1-10H,(H2,19,20,21,22)
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Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7472
PNG
(4,5-dimethyl-1H-pyrazolo[3,4-c]pyridazin-3-amine |...)
Show SMILES Cc1nnc2[nH]nc(N)c2c1C
Show InChI InChI=1S/C7H9N5/c1-3-4(2)9-11-7-5(3)6(8)10-12-7/h1-2H3,(H3,8,10,11,12)
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n/an/a>5.00E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7471
PNG
(4,5-bis(pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridazin-...)
Show SMILES Nc1n[nH]c2nnc(-c3ccccn3)c(-c3ccccn3)c12
Show InChI InChI=1S/C15H11N7/c16-14-12-11(9-5-1-3-7-17-9)13(10-6-2-4-8-18-10)19-21-15(12)22-20-14/h1-8H,(H3,16,20,21,22)
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n/an/a>5.00E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7467
PNG
(3-Amino-4,5-bis(p-trifluoromethylphenyl)-1H-pyrazo...)
Show SMILES Nc1n[nH]c2nnc(-c3ccc(cc3)C(F)(F)F)c(-c3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C19H11F6N5/c20-18(21,22)11-5-1-9(2-6-11)13-14-16(26)28-30-17(14)29-27-15(13)10-3-7-12(8-4-10)19(23,24)25/h1-8H,(H3,26,28,29,30)
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n/an/a>5.00E+4n/an/an/an/a7.230



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7469
PNG
(13-Amino-11H-dibenzo[f,h]pyrazolo[3,4-c]cinnoline ...)
Show SMILES Nc1n[nH]c2nnc3c4ccccc4c4ccccc4c3c12
Show InChI InChI=1S/C17H11N5/c18-16-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15(13)19-21-17(14)22-20-16/h1-8H,(H3,18,20,21,22)
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Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7487
PNG
(2-({3-amino-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridaz...)
Show SMILES Nc1nn(COCCO)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C20H19N5O2/c21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)22-23-20(17)25(24-19)13-27-12-11-26/h1-10,26H,11-13H2,(H2,21,24)
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Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7488
PNG
(2-(2-{3-amino-4,5-diphenyl-1H-pyrazolo[3,4-c]pyrid...)
Show SMILES Nc1nn(CCOCCO)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
Show InChI InChI=1S/C21H21N5O2/c22-20-18-17(15-7-3-1-4-8-15)19(16-9-5-2-6-10-16)23-24-21(18)26(25-20)11-13-28-14-12-27/h1-10,27H,11-14H2,(H2,22,25)
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Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7490
PNG
(1-Ethyl-3-[5-(2-furyl)-1H-pyrazolo[3,4-c]pyridazin...)
Show SMILES CCNC(=S)Nc1n[nH]c2nnc(cc12)-c1ccco1
Show InChI InChI=1S/C12H12N6OS/c1-2-13-12(20)14-10-7-6-8(9-4-3-5-19-9)15-17-11(7)18-16-10/h3-6H,2H2,1H3,(H3,13,14,16,17,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%