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Compile Data Set for Download or QSAR

Found 43 hits of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 4 (CDK4)' and Substrate = 'G1 peptide'   
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 4 (CDK4)


(Homo sapiens (human))
BDBM6632
PNG
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@@H]4c23)[nH]n1
Show InChI InChI=1S/C25H25ClN6O2/c26-16-7-6-14-10-17(11-15(14)9-16)27-13-18-12-22(31-30-18)29-25(34)28-20-4-1-3-19-23(20)21-5-2-8-32(21)24(19)33/h1,3-4,6-7,9,12,17,21,27H,2,5,8,10-11,13H2,(H3,28,29,30,31,34)/t17-,21+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6633
PNG
(3-[(9bS)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1
Show InChI InChI=1S/C25H25ClN6O2/c26-16-7-6-14-10-17(11-15(14)9-16)27-13-18-12-22(31-30-18)29-25(34)28-20-4-1-3-19-23(20)21-5-2-8-32(21)24(19)33/h1,3-4,6-7,9,12,17,21,27H,2,5,8,10-11,13H2,(H3,28,29,30,31,34)/t17-,21-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6626
PNG
(1-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCC[C@@H]3c12
Show InChI InChI=1S/C15H15N5O2/c21-14-9-3-1-4-10(13(9)11-5-2-8-20(11)14)17-15(22)18-12-6-7-16-19-12/h1,3-4,6-7,11H,2,5,8H2,(H3,16,17,18,19,22)/t11-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6627
PNG
(1-[(9bS)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCC[C@H]3c12
Show InChI InChI=1S/C15H15N5O2/c21-14-9-3-1-4-10(13(9)11-5-2-8-20(11)14)17-15(22)18-12-6-7-16-19-12/h1,3-4,6-7,11H,2,5,8H2,(H3,16,17,18,19,22)/t11-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6619
PNG
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12
Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6623
PNG
(3-{5-[(tert-butylamino)methyl]-1H-pyrazol-3-yl}-1-...)
Show SMILES CC(C)(C)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
Show InChI InChI=1S/C20H26N6O2/c1-20(2,3)21-11-12-10-16(25-24-12)23-19(28)22-14-7-4-6-13-17(14)15-8-5-9-26(15)18(13)27/h4,6-7,10,15,21H,5,8-9,11H2,1-3H3,(H3,22,23,24,25,28)
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n/an/a 56n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6624
PNG
(3-{5-[(cyclopentylamino)methyl]-1H-pyrazol-3-yl}-1...)
Show SMILES O=C(Nc1cc(CNC2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
Show InChI InChI=1S/C21H26N6O2/c28-20-15-7-3-8-16(19(15)17-9-4-10-27(17)20)23-21(29)24-18-11-14(25-26-18)12-22-13-5-1-2-6-13/h3,7-8,11,13,17,22H,1-2,4-6,9-10,12H2,(H3,23,24,25,26,29)
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n/an/a 65n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6655
PNG
(3-(9-oxo-9H-fluoren-4-yl)-1-pyridin-2-ylurea | Dia...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C19H13N3O2/c23-18-13-7-2-1-6-12(13)17-14(18)8-5-9-15(17)21-19(24)22-16-10-3-4-11-20-16/h1-11H,(H2,20,21,22,24)
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n/an/a 100n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6622
PNG
(1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...)
Show SMILES CC(C)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
Show InChI InChI=1S/C19H24N6O2/c1-11(2)20-10-12-9-16(24-23-12)22-19(27)21-14-6-3-5-13-17(14)15-7-4-8-25(15)18(13)26/h3,5-6,9,11,15,20H,4,7-8,10H2,1-2H3,(H3,21,22,23,24,27)
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n/an/a 130n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6621
PNG
(1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...)
Show SMILES CCCNCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
Show InChI InChI=1S/C19H24N6O2/c1-2-8-20-11-12-10-16(24-23-12)22-19(27)21-14-6-3-5-13-17(14)15-7-4-9-25(15)18(13)26/h3,5-6,10,15,20H,2,4,7-9,11H2,1H3,(H3,21,22,23,24,27)
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n/an/a 160n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6631
PNG
(3-[(9bS)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@H]3c12
Show InChI InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/t12-,15-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6630
PNG
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)
Show SMILES O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@@H]3c12
Show InChI InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/t12-,15+/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6629
PNG
(1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...)
Show SMILES O=C(Nc1cc(CN2CCCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
Show InChI InChI=1S/C21H26N6O2/c28-20-15-6-4-7-16(19(15)17-8-5-11-27(17)20)22-21(29)23-18-12-14(24-25-18)13-26-9-2-1-3-10-26/h4,6-7,12,17H,1-3,5,8-11,13H2,(H3,22,23,24,25,29)
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n/an/a 250n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6620
PNG
(3-{5-[(methylamino)methyl]-1H-pyrazol-3-yl}-1-{5-o...)
Show SMILES CNCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
Show InChI InChI=1S/C17H20N6O2/c1-18-9-10-8-14(22-21-10)20-17(25)19-12-5-2-4-11-15(12)13-6-3-7-23(13)16(11)24/h2,4-5,8,13,18H,3,6-7,9H2,1H3,(H3,19,20,21,22,25)
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n/an/a 290n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6628
PNG
(1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...)
Show SMILES O=C(Nc1cc(CN2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
Show InChI InChI=1S/C20H24N6O2/c27-19-14-5-3-6-15(18(14)16-7-4-10-26(16)19)21-20(28)22-17-11-13(23-24-17)12-25-8-1-2-9-25/h3,5-6,11,16H,1-2,4,7-10,12H2,(H3,21,22,23,24,28)
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n/an/a 470n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6656
PNG
(3-1H-indazol-6-yl-1-pyridin-2-ylurea | Diarylurea ...)
Show SMILES O=C(Nc1ccc2cn[nH]c2c1)Nc1ccccn1
Show InChI InChI=1S/C13H11N5O/c19-13(17-12-3-1-2-6-14-12)16-10-5-4-9-8-15-18-11(9)7-10/h1-8H,(H,15,18)(H2,14,16,17,19)
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n/an/a 670n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6625
PNG
(3-{5-[(cyclohexylamino)methyl]-1H-pyrazol-3-yl}-1-...)
Show SMILES O=C(Nc1cc(CNC2CCCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
Show InChI InChI=1S/C22H28N6O2/c29-21-16-8-4-9-17(20(16)18-10-5-11-28(18)21)24-22(30)25-19-12-15(26-27-19)13-23-14-6-2-1-3-7-14/h4,8-9,12,14,18,23H,1-3,5-7,10-11,13H2,(H3,24,25,26,27,30)
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n/an/a 720n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4628-40 (2001)


Article DOI: 10.1021/jm010326y
BindingDB Entry DOI: 10.7270/Q2BV7DS8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6657
PNG
(3-pyridin-2-yl-1-quinolin-5-ylurea | Diarylurea de...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2ncccc12
Show InChI InChI=1S/C15H12N4O/c20-15(19-14-8-1-2-9-17-14)18-13-7-3-6-12-11(13)5-4-10-16-12/h1-10H,(H2,17,18,19,20)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6658
PNG
(3-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-1-pyrid...)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)NC(=O)c12
Show InChI InChI=1S/C14H10N4O3/c19-12-8-4-3-5-9(11(8)13(20)18-12)16-14(21)17-10-6-1-2-7-15-10/h1-7H,(H,18,19,20)(H2,15,16,17,21)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6654
PNG
(3-(7-hydroxynaphthalen-1-yl)-1-pyridin-2-ylurea | ...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccccn3)c2c1
Show InChI InChI=1S/C16H13N3O2/c20-12-8-7-11-4-3-5-14(13(11)10-12)18-16(21)19-15-6-1-2-9-17-15/h1-10,20H,(H2,17,18,19,21)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6641
PNG
((5E)-5-[(2-methyl-1H-indol-3-yl)methylidene]-2-sul...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1\NC(=S)NC1=O
Show InChI InChI=1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,14H,1H3,(H2,15,16,17,18)/b11-6+
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n/an/a 1.40E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6645
PNG
(4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}b...)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
Show InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
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n/an/a 1.60E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6649
PNG
(1-(7-hydroxynaphthalen-1-yl)-3-1,3-thiazol-2-ylure...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3nccs3)c2c1
Show InChI InChI=1S/C14H11N3O2S/c18-10-5-4-9-2-1-3-12(11(9)8-10)16-13(19)17-14-15-6-7-20-14/h1-8,18H,(H2,15,16,17,19)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6636
PNG
(3-(3-chlorophenyl)-1-[2-(dimethylamino)quinolin-4-...)
Show SMILES CN(C)c1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1
Show InChI InChI=1S/C18H17ClN4O/c1-23(2)17-11-16(14-8-3-4-9-15(14)21-17)22-18(24)20-13-7-5-6-12(19)10-13/h3-11H,1-2H3,(H2,20,21,22,24)
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n/an/a 3.60E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6643
PNG
(2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyrid...)
Show SMILES COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C15H10N4O3/c1-20-15-10(6-17)13(9(5-16)14(18)19-15)8-2-3-11-12(4-8)22-7-21-11/h2-4H,7H2,1H3,(H2,18,19)
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n/an/a 3.60E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6638
PNG
(1-(5-hydroxynaphthalen-1-yl)-3-[4-(methylsulfanyl)...)
Show SMILES CSc1ccc(NC(=O)Nc2cccc3c(O)cccc23)cc1
Show InChI InChI=1S/C18H16N2O2S/c1-23-13-10-8-12(9-11-13)19-18(22)20-16-6-2-5-15-14(16)4-3-7-17(15)21/h2-11,21H,1H3,(H2,19,20,22)
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n/an/a 4.00E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6634
PNG
(3-(5-chloro-2-methylphenyl)-1-(7-hydroxynaphthalen...)
Show SMILES Cc1ccc(Cl)cc1NC(=O)Nc1cccc2ccc(O)cc12
Show InChI InChI=1S/C18H15ClN2O2/c1-11-5-7-13(19)9-17(11)21-18(23)20-16-4-2-3-12-6-8-14(22)10-15(12)16/h2-10,22H,1H3,(H2,20,21,23)
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n/an/a 4.40E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6637
PNG
(1,3-bis(quinolin-6-yl)urea | Diarylurea 4)
Show SMILES O=C(Nc1ccc2ncccc2c1)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C19H14N4O/c24-19(22-15-5-7-17-13(11-15)3-1-9-20-17)23-16-6-8-18-14(12-16)4-2-10-21-18/h1-12H,(H2,22,23,24)
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n/an/a 7.70E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6635
PNG
(1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea | ...)
Show SMILES CN(C)c1cc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C18H18N4O/c1-22(2)17-12-16(14-10-6-7-11-15(14)20-17)21-18(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,19,20,21,23)
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n/an/a 9.00E+4n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6661
PNG
(1-cyclohexyl-3-pyridin-2-ylurea | Diarylurea deriv...)
Show SMILES O=C(NC1CCCCC1)Nc1ccccn1
Show InChI InChI=1S/C12H17N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h4-5,8-10H,1-3,6-7H2,(H2,13,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6640
PNG
(5-[(2-hydroxynaphthalen-1-yl)methylidene]-2-sulfan...)
Show SMILES Oc1ccc2ccccc2c1C=C1C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C15H10N2O3S/c18-12-6-5-8-3-1-2-4-9(8)10(12)7-11-13(19)16-15(21)17-14(11)20/h1-7,18H,(H2,16,17,19,20,21)
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n/an/a 1.00E+5n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6660
PNG
(1-benzyl-3-pyridin-2-ylurea | Diarylurea deriv. 14...)
Show SMILES O=C(NCc1ccccc1)Nc1ccccn1
Show InChI InChI=1S/C13H13N3O/c17-13(16-12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6659
PNG
(1-phenyl-3-pyridin-2-ylurea | Diarylurea deriv. 14...)
Show SMILES O=C(Nc1ccccc1)Nc1ccccn1
Show InChI InChI=1S/C12H11N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6648
PNG
(3-(7-hydroxynaphthalen-1-yl)-1-pyridin-4-ylurea | ...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccncc3)c2c1
Show InChI InChI=1S/C16H13N3O2/c20-13-5-4-11-2-1-3-15(14(11)10-13)19-16(21)18-12-6-8-17-9-7-12/h1-10,20H,(H2,17,18,19,21)
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n/an/a 1.10E+5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6646
PNG
(3-(7-hydroxynaphthalen-1-yl)-1-phenylurea | Diaryl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C17H14N2O2/c20-14-10-9-12-5-4-8-16(15(12)11-14)19-17(21)18-13-6-2-1-3-7-13/h1-11,20H,(H2,18,19,21)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6652
PNG
(3-cyclopentyl-1-(7-hydroxynaphthalen-1-yl)urea | D...)
Show SMILES Oc1ccc2cccc(NC(=O)NC3CCCC3)c2c1
Show InChI InChI=1S/C16H18N2O2/c19-13-9-8-11-4-3-7-15(14(11)10-13)18-16(20)17-12-5-1-2-6-12/h3-4,7-10,12,19H,1-2,5-6H2,(H2,17,18,20)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6644
PNG
(6‐phenylpteridine‐2,4,7‐triamine...)
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1
Show InChI InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
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n/an/a 2.10E+5n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6651
PNG
(1-(7-hydroxynaphthalen-1-yl)-3-propan-2-ylurea | D...)
Show SMILES CC(C)NC(=O)Nc1cccc2ccc(O)cc12
Show InChI InChI=1S/C14H16N2O2/c1-9(2)15-14(18)16-13-5-3-4-10-6-7-11(17)8-12(10)13/h3-9,17H,1-2H3,(H2,15,16,18)
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n/an/a 2.20E+5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6647
PNG
(3-(7-hydroxynaphthalen-1-yl)-1-pyridin-3-ylurea | ...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccnc3)c2c1
Show InChI InChI=1S/C16H13N3O2/c20-13-7-6-11-3-1-5-15(14(11)9-13)19-16(21)18-12-4-2-8-17-10-12/h1-10,20H,(H2,18,19,21)
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n/an/a 3.40E+5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6639
PNG
(5-(2H-1,3-benzodioxol-5-ylmethylidene)-1,3-diazina...)
Show SMILES O=C1NC(=O)C(=Cc2ccc3OCOc3c2)C(=O)N1
Show InChI InChI=1S/C12H8N2O5/c15-10-7(11(16)14-12(17)13-10)3-6-1-2-8-9(4-6)19-5-18-8/h1-4H,5H2,(H2,13,14,15,16,17)
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n/an/a 3.50E+5n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6650
PNG
(1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea | CHEMBL...)
Show SMILES Oc1ccc2cccc(NC(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C18H16N2O2/c21-15-10-9-14-7-4-8-17(16(14)11-15)20-18(22)19-12-13-5-2-1-3-6-13/h1-11,21H,12H2,(H2,19,20,22)
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n/an/a 4.10E+5n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6642
PNG
(6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-di...)
Show SMILES Nc1nc(N)nc(n1)C1=Cc2cc(Cl)ccc2OC1
Show InChI InChI=1S/C12H10ClN5O/c13-8-1-2-9-6(4-8)3-7(5-19-9)10-16-11(14)18-12(15)17-10/h1-4H,5H2,(H4,14,15,16,17,18)
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n/an/a 4.50E+5n/an/an/an/a7.430



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6653
PNG
(Diarylurea deriv. 13 | N-(7-Hydroxy-1-naphthyl)-2-...)
Show SMILES Oc1ccc2cccc(NC(=O)Cc3ccccc3)c2c1
Show InChI InChI=1S/C18H15NO2/c20-15-10-9-14-7-4-8-17(16(14)12-15)19-18(21)11-13-5-2-1-3-6-13/h1-10,12,20H,11H2,(H,19,21)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Banyu Tsukuba Research Institute



Assay Description
In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...


J Med Chem 44: 4615-27 (2001)


Article DOI: 10.1021/jm0103256
BindingDB Entry DOI: 10.7270/Q2736P3Q
More data for this
Ligand-Target Pair