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Compile Data Set for Download or QSAR

Found 102 hits of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 1 (CDK1)' and Substrate = 'Peptide Substrate'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7720
PNG
((3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazin-1-ylid...)
Show SMILES NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C15H13N5O4S/c16-14(21)8-1-6-12-11(7-8)13(15(22)18-12)20-19-9-2-4-10(5-3-9)25(17,23)24/h1-7,19H,(H2,16,21)(H2,17,23,24)(H,18,20,22)
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n/an/a 2.80n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7688
PNG
(4-({1-[(3Z)-5-(1,3-oxazol-5-yl)-2-oxo-2,3-dihydro-...)
Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(cc12)-c1cnco1
Show InChI InChI=1S/C19H16N4O4S/c1-11(22-13-3-5-14(6-4-13)28(20,25)26)18-15-8-12(17-9-21-10-27-17)2-7-16(15)23-19(18)24/h2-10,18H,1H3,(H,23,24)(H2,20,25,26)
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n/an/a 7.10n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7727
PNG
((3Z)-N-[(2,6-dimethoxyphenyl)methyl]-2-oxo-3-[2-(4...)
Show SMILES COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C24H23N5O6S/c1-34-20-4-3-5-21(35-2)18(20)13-26-23(30)14-6-11-19-17(12-14)22(24(31)27-19)29-28-15-7-9-16(10-8-15)36(25,32)33/h3-12,28H,13H2,1-2H3,(H,26,30)(H2,25,32,33)(H,27,29,31)
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n/an/a 9.30n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7686
PNG
(4-[1-(5-Oxazol-5-yl-2-oxo-1,2-dihydro-indol-3-ylid...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)-c2cnco2)cc1
Show InChI InChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)
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n/an/a 10n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7745
PNG
(4-[N -2-Oxo-2,3-dihydropyrrolo[3,2-f]quinolin-1-yl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH]cccc23)[nH]c1=O
Show InChI InChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,19H,(H,20,23)(H2,18,24,25)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7717
PNG
(Oxindole-Based Inhibitor 53 | methyl (3Z)-2-oxo-3-...)
Show SMILES COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H15N3O5S/c1-25-17(22)10-2-7-15-13(8-10)14(16(21)20-15)9-19-11-3-5-12(6-4-11)26(18,23)24/h2-9,14H,1H3,(H,20,21)(H2,18,23,24)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7751
PNG
((12Z)-12-{[(4-{[2-(2-hydroxyethoxy)ethyl]sulfamoyl...)
Show SMILES OCCOCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C20H20N4O5S2/c25-8-10-29-9-7-23-31(27,28)14-3-1-13(2-4-14)21-11-15-18-16(24-20(15)26)5-6-17-19(18)30-12-22-17/h1-6,11-12,15,23,25H,7-10H2,(H,24,26)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7693
PNG
(4-{2-[(3Z)-4-(2-methylprop-1-en-1-yl)-2-oxo-2,3-di...)
Show SMILES CC(C)=Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,21H,1-2H3,(H2,19,24,25)(H,20,22,23)
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n/an/a 15n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7746
PNG
(4-({[(3Z)-4-oxo-5,10-diazatricyclo[7.4.0.0^{2,6}]t...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Cc1c2c(ccc3[nH]cccc23)[nH]c1=O
Show InChI InChI=1S/C18H14N4O3S/c19-26(24,25)12-5-3-11(4-6-12)21-10-14-17-13-2-1-9-20-15(13)7-8-16(17)22-18(14)23/h1-10,20H,(H,22,23)(H2,19,24,25)
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7719
PNG
(4-({[(3Z)-5-(3-methylbutanoyl)-2-oxo-2,3-dihydro-1...)
Show SMILES CC(C)CC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C20H21N3O4S/c1-12(2)9-19(24)13-3-8-18-16(10-13)17(20(25)23-18)11-22-14-4-6-15(7-5-14)28(21,26)27/h3-8,10-12,17H,9H2,1-2H3,(H,23,25)(H2,21,26,27)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7687
PNG
(4-({[(3Z)-5-(1,3-oxazol-5-yl)-2-oxo-2,3-dihydro-1H...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)-c1cnco1
Show InChI InChI=1S/C18H14N4O4S/c19-27(24,25)13-4-2-12(3-5-13)21-8-15-14-7-11(17-9-20-10-26-17)1-6-16(14)22-18(15)23/h1-10,15H,(H,22,23)(H2,19,24,25)
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n/an/a 17n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7692
PNG
(4-[N -(4-Isobutyl-2-oxo-1,2-dihydro-indol-3-yliden...)
Show SMILES CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C18H20N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-9,11,21H,10H2,1-2H3,(H2,19,24,25)(H,20,22,23)
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n/an/a 19n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7773
PNG
(3-{[(2,2-Dioxido-1,3-dihydro-2-benzothien-5-yl)ami...)
Show SMILES O=C1Nc2ccc(cc2C1C=Nc1ccc2CS(=O)(=O)Cc2c1)-c1cnco1
Show InChI InChI=1S/C20H15N3O4S/c24-20-17(7-22-15-3-1-13-9-28(25,26)10-14(13)5-15)16-6-12(2-4-18(16)23-20)19-8-21-11-27-19/h1-8,11,17H,9-10H2,(H,23,24)
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7718
PNG
(2-methylpropyl (3Z)-2-oxo-3-{[(4-sulfamoylphenyl)a...)
Show SMILES CC(C)COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-28-20(25)13-3-8-18-16(9-13)17(19(24)23-18)10-22-14-4-6-15(7-5-14)29(21,26)27/h3-10,12,17H,11H2,1-2H3,(H,23,24)(H2,21,26,27)
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7744
PNG
(4-({[(12Z)-11-oxo-3-thia-5,10-diazatricyclo[7.3.0....)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,11H,(H,20,21)(H2,17,22,23)
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n/an/a 29n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7772
PNG
(5-({[(12Z)-11-oxo-3-thia-5,10-diazatricyclo[7.3.0....)
Show SMILES O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,13H,7-8H2,(H,21,22)
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n/an/a 31n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7691
PNG
(4-[N¢-(4-Isopropyl-2-oxo-1,2-dihydro-indol-3-ylid...)
Show SMILES CC(C)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C17H18N4O3S/c1-10(2)13-4-3-5-14-15(13)16(17(22)19-14)21-20-11-6-8-12(9-7-11)25(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)
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n/an/a 37n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7750
PNG
(N-[2-(1H-Imidazol-5-yl)ethyl]-4-{[(7-oxo-6,7-dihyd...)
Show SMILES O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C21H18N6O3S2/c28-21-16(19-17(27-21)5-6-18-20(19)31-12-25-18)10-23-13-1-3-15(4-2-13)32(29,30)26-8-7-14-9-22-11-24-14/h1-6,9-12,16,26H,7-8H2,(H,22,24)(H,27,28)
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n/an/a 38n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7766
PNG
((12Z)-12-{[(4-methanesulfonylphenyl)amino]methylid...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C17H13N3O3S2/c1-25(22,23)11-4-2-10(3-5-11)18-8-12-15-13(20-17(12)21)6-7-14-16(15)24-9-19-14/h2-9,12H,1H3,(H,20,21)
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n/an/a 39n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7749
PNG
(2-hydroxy-N-[4-({[(12Z)-11-oxo-3-thia-5,10-diazatr...)
Show SMILES OCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C18H16N4O4S2/c23-8-7-21-28(25,26)12-3-1-11(2-4-12)19-9-13-16-14(22-18(13)24)5-6-15-17(16)27-10-20-15/h1-6,9-10,13,21,23H,7-8H2,(H,22,24)
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n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7754
PNG
(4-({[(12Z)-11-oxo-3-thia-5,10-diazatricyclo[7.3.0....)
Show SMILES O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H16N4O3S2/c27-22-17(20-18(25-22)10-11-19-21(20)30-13-24-19)12-23-14-6-8-16(9-7-14)31(28,29)26-15-4-2-1-3-5-15/h1-13,17,26H,(H,25,27)
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n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7695
PNG
(4-{2-[(3Z)-2-oxo-4-(propan-2-yloxy)-2,3-dihydro-1H...)
Show SMILES CC(C)Oc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C17H18N4O4S/c1-10(2)25-14-5-3-4-13-15(14)16(17(22)19-13)21-20-11-6-8-12(9-7-11)26(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)
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n/an/a 41n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7759
PNG
(N-(1,2-dihydroisoquinolin-2-yl)-4-({[(12Z)-11-oxo-...)
Show SMILES O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NN1Cc2ccccc2C=C1
Show InChI InChI=1S/C25H19N5O3S2/c31-25-20(23-21(28-25)9-10-22-24(23)34-15-27-22)13-26-18-5-7-19(8-6-18)35(32,33)29-30-12-11-16-3-1-2-4-17(16)14-30/h1-13,15,20,29H,14H2,(H,28,31)
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n/an/a 42n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7743
PNG
(4-[2-(7-Oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]ind...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1
Show InChI InChI=1S/C15H11N5O3S2/c16-25(22,23)9-3-1-8(2-4-9)19-20-13-12-10(18-15(13)21)5-6-11-14(12)24-7-17-11/h1-7,19H,(H2,16,22,23)(H,18,20,21)
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n/an/a 43n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7760
PNG
(3-{[4-({[(12Z)-11-oxo-3-thia-5,10-diazatricyclo[7....)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C17H14N6O3S2/c18-17(19)23-28(25,26)10-3-1-9(2-4-10)20-7-11-14-12(22-16(11)24)5-6-13-15(14)27-8-21-13/h1-8,11H,(H,22,24)(H4,18,19,23)
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n/an/a 45n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7753
PNG
(N-methyl-4-({[(12Z)-11-oxo-3-thia-5,10-diazatricyc...)
Show SMILES COCCOCCOCCOCCN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C26H32N4O7S2/c1-30(9-10-35-13-14-37-16-15-36-12-11-34-2)39(32,33)20-5-3-19(4-6-20)27-17-21-24-22(29-26(21)31)7-8-23-25(24)38-18-28-23/h3-8,17-18,21H,9-16H2,1-2H3,(H,29,31)
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n/an/a 45n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7690
PNG
(4-[2-(4-Ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene...)
Show SMILES CCc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C16H16N4O3S/c1-2-10-4-3-5-13-14(10)15(16(21)18-13)20-19-11-6-8-12(9-7-11)24(17,22)23/h3-9,19H,2H2,1H3,(H2,17,22,23)(H,18,20,21)
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n/an/a 46n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7748
PNG
(N,N-Dimethyl-4-{[(7-oxo-6,7-dihydro-8H-[1,3]thiazo...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C18H16N4O3S2/c1-22(2)27(24,25)12-5-3-11(4-6-12)19-9-13-16-14(21-18(13)23)7-8-15-17(16)26-10-20-15/h3-10,13H,1-2H3,(H,21,23)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7725
PNG
((3Z)-2-oxo-N-(pyridin-3-ylmethyl)-3-[2-(4-sulfamoy...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1
Show InChI InChI=1S/C21H18N6O4S/c22-32(30,31)16-6-4-15(5-7-16)26-27-19-17-10-14(3-8-18(17)25-21(19)29)20(28)24-12-13-2-1-9-23-11-13/h1-11,26H,12H2,(H,24,28)(H2,22,30,31)(H,25,27,29)
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n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7758
PNG
(N-Benzyl-4-{[(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5...)
Show SMILES O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C23H18N4O3S2/c28-23-18(21-19(27-23)10-11-20-22(21)31-14-25-20)13-24-16-6-8-17(9-7-16)32(29,30)26-12-15-4-2-1-3-5-15/h1-11,13-14,18,26H,12H2,(H,27,28)
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n/an/a 52n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7769
PNG
(N-Methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo...)
Show SMILES CNS(=O)(=O)Cc1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1
Show InChI InChI=1S/C17H15N5O3S2/c1-18-27(24,25)8-10-2-4-11(5-3-10)21-22-15-14-12(20-17(15)23)6-7-13-16(14)26-9-19-13/h2-7,9,18,21H,8H2,1H3,(H,20,22,23)
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n/an/a 56n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7726
PNG
((3Z)-N-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-3-[2-(...)
Show SMILES CC(C)(CO)CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C20H23N5O5S/c1-20(2,11-26)10-22-18(27)12-3-8-16-15(9-12)17(19(28)23-16)25-24-13-4-6-14(7-5-13)31(21,29)30/h3-9,24,26H,10-11H2,1-2H3,(H,22,27)(H2,21,29,30)(H,23,25,28)
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7747
PNG
(N-Methyl-4-{[(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5...)
Show SMILES CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C17H14N4O3S2/c1-18-26(23,24)11-4-2-10(3-5-11)19-8-12-15-13(21-17(12)22)6-7-14-16(15)25-9-20-14/h2-9,12,18H,1H3,(H,21,22)
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n/an/a 64n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7756
PNG
(N-Methyl-4-{[(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5...)
Show SMILES CN(c1ccccn1)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C22H17N5O3S2/c1-27(19-4-2-3-11-23-19)32(29,30)15-7-5-14(6-8-15)24-12-16-20-17(26-22(16)28)9-10-18-21(20)31-13-25-18/h2-13,16H,1H3,(H,26,28)
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n/an/a 64n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7722
PNG
((3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-s...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C20H19N7O4S/c21-32(30,31)15-4-2-13(3-5-15)26-27-18-16-9-12(1-6-17(16)25-20(18)29)19(28)23-8-7-14-10-22-11-24-14/h1-6,9-11,26H,7-8H2,(H,22,24)(H,23,28)(H2,21,30,31)(H,25,27,29)
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n/an/a 69n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7752
PNG
(4-({[(12Z)-11-oxo-3-thia-5,10-diazatricyclo[7.3.0....)
Show SMILES COCCOCCOCCOCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C25H30N4O7S2/c1-33-10-11-35-14-15-36-13-12-34-9-8-28-38(31,32)19-4-2-18(3-5-19)26-16-20-23-21(29-25(20)30)6-7-22-24(23)37-17-27-22/h2-7,16-17,20,28H,8-15H2,1H3,(H,29,30)
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n/an/a 72n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7724
PNG
((3Z)-2-oxo-N-(pyridin-4-ylmethyl)-3-[2-(4-sulfamoy...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C21H18N6O4S/c22-32(30,31)16-4-2-15(3-5-16)26-27-19-17-11-14(1-6-18(17)25-21(19)29)20(28)24-12-13-7-9-23-10-8-13/h1-11,26H,12H2,(H,24,28)(H2,22,30,31)(H,25,27,29)
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n/an/a 74n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7708
PNG
(4-[N -(5-Hydroxy-2-oxo-1,2-dihydro-indol-3-ylidene...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(O)cc23)cc1
Show InChI InChI=1S/C14H12N4O4S/c15-23(21,22)10-4-1-8(2-5-10)17-18-13-11-7-9(19)3-6-12(11)16-14(13)20/h1-7,17,19H,(H2,15,21,22)(H,16,18,20)
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n/an/a 77n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7741
PNG
(4-[N -(1-Chloro-7-oxo-6,7-dihydro-3H-pyrrolo[3,2-e...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]c(Cl)c23)[nH]c1=O
Show InChI InChI=1S/C15H11ClN6O3S/c16-14-12-10(20-22-14)6-5-9-11(12)13(15(23)18-9)21-19-7-1-3-8(4-2-7)26(17,24)25/h1-6,20,22H,(H,18,23)(H2,17,24,25)
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n/an/a 83n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7739
PNG
(4-[2-(4-Methyl-5-nitro-2-oxo-1,2-dihydro-3H-indol-...)
Show SMILES Cc1c2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2ccc1N(=O)=O
Show InChI InChI=1S/C15H13N5O5S/c1-8-12(20(22)23)7-6-11-13(8)14(15(21)17-11)19-18-9-2-4-10(5-3-9)26(16,24)25/h2-7,18H,1H3,(H2,16,24,25)(H,17,19,21)
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n/an/a 87n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7706
PNG
(4-[2-(5-Iodo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(I)cc23)cc1
Show InChI InChI=1S/C14H11IN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
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n/an/a 95n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7767
PNG
((4-{[(7-Oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]ind...)
Show SMILES NS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12
Show InChI InChI=1S/C17H14N4O3S2/c18-26(23,24)8-10-1-3-11(4-2-10)19-7-12-15-13(21-17(12)22)5-6-14-16(15)25-9-20-14/h1-7,9,12H,8H2,(H,21,22)(H2,18,23,24)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7755
PNG
(4-({[(12Z)-11-oxo-3-thia-5,10-diazatricyclo[7.3.0....)
Show SMILES O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,15H,(H,22,26)(H,25,27)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7689
PNG
(4-[N-(4-Iodo-2-oxo-1,2-dihydro-indol-3-ylidene...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(I)c23)cc1
Show InChI InChI=1S/C14H11IN4O3S/c15-10-2-1-3-11-12(10)13(14(20)17-11)19-18-8-4-6-9(7-5-8)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
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n/an/a 110n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7740
PNG
(4-[N -(7-Oxo-6,7-dihydro-3H-pyrrolo[3,2-e]indazol-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]cc23)[nH]c1=O
Show InChI InChI=1S/C15H12N6O3S/c16-25(23,24)9-3-1-8(2-4-9)19-21-14-13-10-7-17-20-11(10)5-6-12(13)18-15(14)22/h1-7,17,20H,(H,18,22)(H2,16,23,24)
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n/an/a 120n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM8397
PNG
(4-{[3-(4-bromophenyl)-1H-pyrazol-5-yl]amino}benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H13BrN4O2S/c16-11-3-1-10(2-4-11)14-9-15(20-19-14)18-12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20)
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n/an/a 126n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7721
PNG
((3Z)-N,N-dimethyl-2-oxo-3-[2-(4-sulfamoylphenyl)hy...)
Show SMILES CN(C)C(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H17N5O4S/c1-22(2)17(24)10-3-8-14-13(9-10)15(16(23)19-14)21-20-11-4-6-12(7-5-11)27(18,25)26/h3-9,20H,1-2H3,(H2,18,25,26)(H,19,21,23)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7715
PNG
((3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazin-1-ylid...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(O)(=O)=O)cc1
Show InChI InChI=1S/C14H12N4O6S2/c15-25(20,21)9-3-1-8(2-4-9)17-18-13-11-7-10(26(22,23)24)5-6-12(11)16-14(13)19/h1-7,17H,(H2,15,20,21)(H,16,18,19)(H,22,23,24)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7701
PNG
(2-Oxo-3-(4-sulfamoyl-phenylamino)-methylene]-2,3-d...)
Show SMILES CCOC(=O)c1cccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C18H17N3O5S/c1-2-26-18(23)13-4-3-5-15-16(13)14(17(22)21-15)10-20-11-6-8-12(9-7-11)27(19,24)25/h3-10,14H,2H2,1H3,(H,21,22)(H2,19,24,25)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM7742
PNG
(4-[2-(7-Oxo-6,7-dihydro[1,2,3]triazolo[4,5-e]indol...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]nc23)[nH]c1=O
Show InChI InChI=1S/C14H11N7O3S/c15-25(23,24)8-3-1-7(2-4-8)17-19-13-11-9(16-14(13)22)5-6-10-12(11)20-21-18-10/h1-6,18,21H,(H,16,22)(H2,15,23,24)
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n/an/a 150n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...


J Med Chem 44: 4339-58 (2001)


Article DOI: 10.1021/jm010117d
BindingDB Entry DOI: 10.7270/Q2ST7N10
More data for this
Ligand-Target Pair
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