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Compile Data Set for Download or QSAR

Found 1379 hits of ic50 for UniProtKB: P14635   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132175
PNG
(2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3O)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-5-3-4-6-11(10)21/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 0.440n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50191913
PNG
(CHEMBL384350 | N-(2-methyl-4-(2-(pyrrolidin-1-yl)e...)
Show SMILES Cc1cc(CCN2CCCC2)ccc1Nc1nccc(n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H26N6/c1-17-15-18(9-14-30-12-2-3-13-30)6-7-21(17)28-24-26-11-8-22(29-24)20-16-27-23-19(20)5-4-10-25-23/h4-8,10-11,15-16H,2-3,9,12-14H2,1H3,(H,25,27)(H,26,28,29)
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n/an/a 0.600n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB by Flashplate assay


Bioorg Med Chem Lett 16: 4818-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.073
BindingDB Entry DOI: 10.7270/Q2571BNM
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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n/an/a 0.600n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50191929
PNG
(2-(4-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2...)
Show SMILES Cc1cc(CCO)ccc1Nc1nccc(n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C20H19N5O/c1-13-11-14(7-10-26)4-5-17(13)24-20-22-9-6-18(25-20)16-12-23-19-15(16)3-2-8-21-19/h2-6,8-9,11-12,26H,7,10H2,1H3,(H,21,23)(H,22,24,25)
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n/an/a 0.600n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB by Flashplate assay


Bioorg Med Chem Lett 16: 4818-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.073
BindingDB Entry DOI: 10.7270/Q2571BNM
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50132178
PNG
(5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O
Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19)
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9328-z
BindingDB Entry DOI: 10.7270/Q2DZ0C5S
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132169
PNG
((3-Chloro-phenyl)-(3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c(Nc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-8(2)11-12-13(20-19-11)14(17-7-16-12)18-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 0.900n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50193087
PNG
(CHEMBL3897452)
Show SMILES CCNCc1cncc(c1C)-c1cccc2[nH]nc(-c3nc4c(F)cc(F)cc4[nH]3)c12
Show InChI InChI=1S/C23H20F2N6/c1-3-26-9-13-10-27-11-16(12(13)2)15-5-4-6-18-20(15)22(31-30-18)23-28-19-8-14(24)7-17(25)21(19)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31)
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n/an/a 1n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin)


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM525769
PNG
(US11174252, Compound 456)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CN(C)C)ncc1F
Show InChI InChI=1S/C28H32F2N6O2/c1-17(2)36-9-10-38-27-22(29)12-20(13-24(27)36)26-23(30)14-31-28(33-26)32-21-6-5-19-15-35(8-7-18(19)11-21)25(37)16-34(3)4/h5-6,11-14,17H,7-10,15-16H2,1-4H3,(H,31,32,33)
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n/an/a<1n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...


US Patent US11174252 (2021)

More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50191918
PNG
(CHEMBL212552 | N-(2-methyl-4-(2-(piperidin-1-yl)et...)
Show SMILES Cc1cc(CCN2CCCCC2)ccc1Nc1nccc(n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C25H28N6/c1-18-16-19(10-15-31-13-3-2-4-14-31)7-8-22(18)29-25-27-12-9-23(30-25)21-17-28-24-20(21)6-5-11-26-24/h5-9,11-12,16-17H,2-4,10,13-15H2,1H3,(H,26,28)(H,27,29,30)
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB by Flashplate assay


Bioorg Med Chem Lett 16: 4818-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.073
BindingDB Entry DOI: 10.7270/Q2571BNM
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM525820
PNG
(US11174252, Compound 513)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(=O)(=O)NCCN(C)C)ncc1F
Show InChI InChI=1S/C25H30F2N6O3S/c1-16(2)33-11-12-36-24-20(26)13-17(14-22(24)33)23-21(27)15-28-25(31-23)30-18-5-7-19(8-6-18)37(34,35)29-9-10-32(3)4/h5-8,13-16,29H,9-12H2,1-4H3,(H,28,30,31)
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n/an/a<1n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...


US Patent US11174252 (2021)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM525825
PNG
(US11174252, Compound 520)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C21H21F2N5O3S/c1-12(2)28-6-7-31-20-16(22)8-13(9-18(20)28)19-17(23)11-25-21(27-19)26-14-4-3-5-15(10-14)32(24,29)30/h3-5,8-12H,6-7H2,1-2H3,(H2,24,29,30)(H,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...


US Patent US11174252 (2021)

More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132178
PNG
(5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O
Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19)
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n/an/a 1.10n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132185
PNG
(Benzyl-(3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C15H17N5/c1-10(2)12-13-14(20-19-12)15(18-9-17-13)16-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 1.20n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132183
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-pen...)
Show SMILES CCCCCNc1ncnc2c([nH]nc12)C(C)C
Show InChI InChI=1S/C13H21N5/c1-4-5-6-7-14-13-12-11(15-8-16-13)10(9(2)3)17-18-12/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)
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n/an/a 1.20n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM525815
PNG
(US11174252, Compound 507)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C21H21F2N5O3S/c1-12(2)28-7-8-31-20-16(22)9-13(10-18(20)28)19-17(23)11-25-21(27-19)26-14-3-5-15(6-4-14)32(24,29)30/h3-6,9-12H,7-8H2,1-2H3,(H2,24,29,30)(H,25,26,27)
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n/an/a 1.30n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...


US Patent US11174252 (2021)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem 19: 6760-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44QPH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinB using Histone H1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50358833
PNG
(CHEMBL1923087)
Show SMILES NC(=O)c1c(Br)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C12H14BrN5O5/c13-8-4(10(15)22)5-9(14)16-2-17-11(5)18(8)12-7(21)6(20)3(1-19)23-12/h2-3,6-7,12,19-21H,1H2,(H2,15,22)(H2,14,16,17)/t3-,6+,7-,12-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Jilin University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B in human HeLa cell extracts using histone H1 as substrate preincubated for 30 mins before substrate addition measured aft...


Bioorg Med Chem 19: 7100-10 (2011)


Article DOI: 10.1016/j.bmc.2011.10.003
BindingDB Entry DOI: 10.7270/Q24J0FHG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinB using Histone H1 as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem 26: 1740-1750 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin)


Eur J Med Chem 141: 657-675 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.003
BindingDB Entry DOI: 10.7270/Q2CV4M86
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132172
PNG
(3-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3cccc(O)c3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-4-3-5-11(21)6-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 1.70n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132179
PNG
(4-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-3-5-11(21)6-4-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 1.80n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50191924
PNG
(CHEMBL377449 | N-(2-methyl-4-(2-morpholinoethyl)ph...)
Show SMILES Cc1cc(CCN2CCOCC2)ccc1Nc1nccc(n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H26N6O/c1-17-15-18(7-10-30-11-13-31-14-12-30)4-5-21(17)28-24-26-9-6-22(29-24)20-16-27-23-19(20)3-2-8-25-23/h2-6,8-9,15-16H,7,10-14H2,1H3,(H,25,27)(H,26,28,29)
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n/an/a 1.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB by Flashplate assay


Bioorg Med Chem Lett 16: 4818-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.073
BindingDB Entry DOI: 10.7270/Q2571BNM
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50191922
PNG
(CHEMBL212299 | trans-N1-(4-(1H-pyrrolo[2,3-b]pyrid...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H20N6/c18-11-3-5-12(6-4-11)22-17-20-9-7-15(23-17)14-10-21-16-13(14)2-1-8-19-16/h1-2,7-12H,3-6,18H2,(H,19,21)(H,20,22,23)/t11-,12-
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB by Flashplate assay


Bioorg Med Chem Lett 16: 4818-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.073
BindingDB Entry DOI: 10.7270/Q2571BNM
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM525819
PNG
(US11174252, Compound 512)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2=O)ncc1F
Show InChI InChI=1S/C24H25F2N7O2/c1-14(2)32-7-8-35-23-17(25)9-15(10-19(23)32)22-18(26)12-29-24(31-22)30-20-4-3-16(11-28-20)33-6-5-27-13-21(33)34/h3-4,9-12,14,27H,5-8,13H2,1-2H3,(H,28,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...


US Patent US11174252 (2021)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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n/an/a 2n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50193093
PNG
(RGB-286638)
Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)
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n/an/a 2n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin)


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50556032
PNG
(CHEMBL4748292)
Show SMILES CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@@H](C)O)n2)cc1
Show InChI InChI=1S/C16H21BrN4O3S/c1-4-25(18,23)13-7-5-12(6-8-13)20-16-19-9-14(17)15(21-16)24-11(3)10(2)22/h5-11,18,22H,4H2,1-3H3,(H,19,20,21)/t10-,11-,25?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Endotherm GmbH

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human CDK1/GST-tagged human cyclin B expressed in Sf-9 cells incubated for 10 mins by scintillation counting met...


J Med Chem 63: 14243-14275 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6872
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3h ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1sccc1F
Show InChI InChI=1S/C13H11FN6O3S2/c14-9-5-6-24-10(9)11(21)20-12(15)18-13(19-20)17-7-1-3-8(4-2-7)25(16,22)23/h1-6H,(H2,16,22,23)(H3,15,17,18,19)
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n/an/a 2.10n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinB using Histone H1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Gachon University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinB using Histone H1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 453-480 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.037
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50511932
PNG
(CHEMBL4589128)
Show SMILES CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C
Show InChI InChI=1S/C23H20F2N6/c1-3-26-9-14-10-27-11-17(12(14)2)13-4-5-19-16(6-13)21(31-30-19)23-28-20-8-15(24)7-18(25)22(20)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31)
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n/an/a 2.30n/an/an/an/an/an/a



University of South Australia Cancer Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) using histone H1 as substrate in presence of gamma[32P] ATP by phosphorimaging analysis


J Med Chem 62: 4233-4251 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01469
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132174
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(4-...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1
Show InChI InChI=1S/C16H19N5O/c1-10(2)13-14-15(21-20-13)16(19-9-18-14)17-8-11-4-6-12(22-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,20,21)(H,17,18,19)
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n/an/a 2.30n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin) after 40 mins by scintillation counting analysis


Eur J Med Chem 102: 600-10 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.031
BindingDB Entry DOI: 10.7270/Q2XG9SXV
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132167
PNG
(CHEMBL103206 | Furan-2-ylmethyl-(3-isopropyl-1H-py...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccco3)ncnc12
Show InChI InChI=1S/C13H15N5O/c1-8(2)10-11-12(18-17-10)13(16-7-15-11)14-6-9-4-3-5-19-9/h3-5,7-8H,6H2,1-2H3,(H,17,18)(H,14,15,16)
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n/an/a 2.5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK1/Cyclin B expressed in insect cells using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 15 mins by LANCE met...


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
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))
BDBM525738
PNG
(US11174252, Compound 33)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C26H30F2N6O/c1-16(2)34-10-11-35-25-20(27)12-18(13-23(25)34)24-21(28)15-30-26(32-24)31-19-4-5-22(29-14-19)17-6-8-33(3)9-7-17/h4-5,12-17H,6-11H2,1-3H3,(H,30,31,32)
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n/an/a 3n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...


US Patent US11174252 (2021)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK1/cyclin B (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrat...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50191925
PNG
(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-o-tolylpyrimid...)
Show SMILES Cc1ccccc1Nc1nccc(n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H15N5/c1-12-5-2-3-7-15(12)22-18-20-10-8-16(23-18)14-11-21-17-13(14)6-4-9-19-17/h2-11H,1H3,(H,19,21)(H,20,22,23)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB by Flashplate assay


Bioorg Med Chem Lett 16: 4818-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.073
BindingDB Entry DOI: 10.7270/Q2571BNM
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50352202
PNG
(CHEMBL1825101)
Show SMILES CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
Show InChI InChI=1S/C20H28N8O2S/c1-31(29,30)27(11-10-21)18-9-8-16(14-22-18)25-20-23-12-15-13-24-28(19(15)26-20)17-6-4-2-3-5-7-17/h8-9,12-14,17H,2-7,10-11,21H2,1H3,(H,23,25,26)
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n/an/a 3n/an/an/an/an/an/a



Biogen Idec Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay


Bioorg Med Chem Lett 21: 5633-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.129
BindingDB Entry DOI: 10.7270/Q2HM58VW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM525743
PNG
(US11174252, Compound 38)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
Show InChI InChI=1S/C27H33F2N7O/c1-17(2)36-11-12-37-26-21(28)13-18(14-23(26)36)25-22(29)16-31-27(33-25)32-19-5-6-24(30-15-19)35-9-7-20(8-10-35)34(3)4/h5-6,13-17,20H,7-12H2,1-4H3,(H,31,32,33)
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n/an/a 3n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE™. These screening assays were performed at In...


US Patent US11174252 (2021)

More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132177
PNG
(3-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3cccc(O)c3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-4-3-5-12(21)6-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
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n/an/a 3.10n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


Article DOI: 10.1016/s0960-894x(03)00631-0
BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50454182
PNG
(CHEMBL4210771)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCCCC3N)nc12
Show InChI InChI=1S/C21H29N7/c1-13(2)17-18-19(28-27-17)20(23-12-14-8-4-3-5-9-14)26-21(25-18)24-16-11-7-6-10-15(16)22/h3-5,8-9,13,15-16H,6-7,10-12,22H2,1-2H3,(H,27,28)(H2,23,24,25,26)
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n/an/a 3.20n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/CyclinB1 (M1 to V433 residues) expressed in Sf9 insect cells


Bioorg Med Chem 26: 309-339 (2018)


Article DOI: 10.1016/j.bmc.2017.10.012
BindingDB Entry DOI: 10.7270/Q25141T6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK1/Cyclin B using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate measured after 15 mins by LANCE assay


Eur J Med Chem 150: 446-456 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.013
BindingDB Entry DOI: 10.7270/Q2FT8PNR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6871
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3g ...)
Show SMILES Cc1cc(C)c(s1)C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Show InChI InChI=1S/C15H16N6O3S2/c1-8-7-9(2)25-12(8)13(22)21-14(16)19-15(20-21)18-10-3-5-11(6-4-10)26(17,23)24/h3-7H,1-2H3,(H2,17,23,24)(H3,16,18,19,20)
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n/an/a 3.20n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6880
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 4b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)n(n1)C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-14(22-13(18)23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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n/an/a 3.20n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6868
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3d ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)ccc(F)c1F
Show InChI InChI=1S/C15H11F3N6O3S/c16-9-5-6-10(17)12(18)11(9)13(25)24-14(19)22-15(23-24)21-7-1-3-8(4-2-7)28(20,26)27/h1-6H,(H2,20,26,27)(H3,19,21,22,23)
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n/an/a 3.20n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50338873
PNG
(CHEMBL1684800 | N-(5-Amino-1-(4-methoxybenzyl)-1H-...)
Show SMILES COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
Show InChI InChI=1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-13-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39)
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n/an/a 3.20n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 19: 1915-23 (2011)


Article DOI: 10.1016/j.bmc.2011.01.067
BindingDB Entry DOI: 10.7270/Q2D79CD3
More data for this
Ligand-Target Pair
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