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Compile Data Set for Download or QSAR

Found 180 hits of ic50 for UniProtKB: P24941   
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-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270333
PNG
(CHEMBL4080236)
Show SMILES Cc1csc2ncnc(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)c12
Show InChI InChI=1S/C22H23N7O2S/c1-14-12-32-22-18(14)20(23-13-24-22)27-17-10-25-28-19(17)21(30)26-16-4-2-15(3-5-16)11-29-6-8-31-9-7-29/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,28)(H,26,30)(H,23,24,27)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(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 |r|
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


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113232
BindingDB Entry DOI: 10.7270/Q22J6GMW
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(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 |r|
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 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK2/cyclin-A1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay

Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270310
PNG
(CHEMBL4093906)
Show SMILES CCN(CC)Cc1ccc(NC(=O)c2n[nH]cc2Nc2ncnc3sccc23)cc1
Show InChI InChI=1S/C21H23N7OS/c1-3-28(4-2)12-14-5-7-15(8-6-14)25-20(29)18-17(11-24-27-18)26-19-16-9-10-30-21(16)23-13-22-19/h5-11,13H,3-4,12H2,1-2H3,(H,24,27)(H,25,29)(H,22,23,26)
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n/an/a 1.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270329
PNG
(CHEMBL4073053)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sc(C)cc34)cc2)CC1
Show InChI InChI=1S/C23H26N8OS/c1-15-11-18-21(24-14-25-23(18)33-15)28-19-12-26-29-20(19)22(32)27-17-5-3-16(4-6-17)13-31-9-7-30(2)8-10-31/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,26,29)(H,27,32)(H,24,25,28)
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n/an/a 1.70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(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 |r|
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 1.80n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin-A1 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
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270331
PNG
(CHEMBL4086149)
Show SMILES CCc1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)ncnc2s1
Show InChI InChI=1S/C24H28N8OS/c1-3-18-12-19-22(25-15-26-24(19)34-18)29-20-13-27-30-21(20)23(33)28-17-6-4-16(5-7-17)14-32-10-8-31(2)9-11-32/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,27,30)(H,28,33)(H,25,26,29)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270319
PNG
(CHEMBL4093755)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sc(C)c(C)c34)cc2)CC1
Show InChI InChI=1S/C24H28N8OS/c1-15-16(2)34-24-20(15)22(25-14-26-24)29-19-12-27-30-21(19)23(33)28-18-6-4-17(5-7-18)13-32-10-8-31(3)9-11-32/h4-7,12,14H,8-11,13H2,1-3H3,(H,27,30)(H,28,33)(H,25,26,29)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270358
PNG
(CHEMBL4076277)
Show SMILES O=C(Nc1ccc(CNC2CC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12
Show InChI InChI=1S/C20H19N7OS/c28-19(25-14-3-1-12(2-4-14)9-21-13-5-6-13)17-16(10-24-27-17)26-18-15-7-8-29-20(15)23-11-22-18/h1-4,7-8,10-11,13,21H,5-6,9H2,(H,24,27)(H,25,28)(H,22,23,26)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270316
PNG
(CHEMBL4104057)
Show SMILES O=C(Nc1ccc(CN2CCNCC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12
Show InChI InChI=1S/C21H22N8OS/c30-20(26-15-3-1-14(2-4-15)12-29-8-6-22-7-9-29)18-17(11-25-28-18)27-19-16-5-10-31-21(16)24-13-23-19/h1-5,10-11,13,22H,6-9,12H2,(H,25,28)(H,26,30)(H,23,24,27)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270304
PNG
(CHEMBL4077071)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1
Show InChI InChI=1S/C22H25N9O/c1-30-8-10-31(11-9-30)13-15-2-4-16(5-3-15)27-22(32)19-18(12-26-29-19)28-21-17-6-7-23-20(17)24-14-25-21/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)(H,27,32)(H2,23,24,25,28)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
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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TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270309
PNG
(CHEMBL4101635)
Show SMILES CN1CCCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1
Show InChI InChI=1S/C23H26N8OS/c1-30-8-2-9-31(11-10-30)14-16-3-5-17(6-4-16)27-22(32)20-19(13-26-29-20)28-21-18-7-12-33-23(18)25-15-24-21/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,26,29)(H,27,32)(H,24,25,28)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270353
PNG
(CHEMBL4075723)
Show SMILES CCc1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)ncnc2s1
Show InChI InChI=1S/C23H25N7O2S/c1-2-17-11-18-21(24-14-25-23(18)33-17)28-19-12-26-29-20(19)22(31)27-16-5-3-15(4-6-16)13-30-7-9-32-10-8-30/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,26,29)(H,27,31)(H,24,25,28)
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n/an/a 3.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270306
PNG
(CHEMBL4077074)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12
Show InChI InChI=1S/C21H21N7O2S/c29-20(25-15-3-1-14(2-4-15)12-28-6-8-30-9-7-28)18-17(11-24-27-18)26-19-16-5-10-31-21(16)23-13-22-19/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,25,29)(H,22,23,26)
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n/an/a 3.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270359
PNG
(CHEMBL4096307)
Show SMILES CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)ncnc2s1
Show InChI InChI=1S/C25H30N8OS/c1-16(2)21-12-19-23(26-15-27-25(19)35-21)30-20-13-28-31-22(20)24(34)29-18-6-4-17(5-7-18)14-33-10-8-32(3)9-11-33/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,28,31)(H,29,34)(H,26,27,30)
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n/an/a 3.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270330
PNG
(CHEMBL4078261)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4scc(C)c34)cc2)CC1
Show InChI InChI=1S/C23H26N8OS/c1-15-13-33-23-19(15)21(24-14-25-23)28-18-11-26-29-20(18)22(32)27-17-5-3-16(4-6-17)12-31-9-7-30(2)8-10-31/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,26,29)(H,27,32)(H,24,25,28)
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n/an/a 4.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270308
PNG
(CHEMBL4074948)
Show SMILES O=C(Nc1ccc(CN2CCNCC2)cc1)c1n[nH]cc1Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H23N9O/c31-21(27-15-3-1-14(2-4-15)12-30-9-7-22-8-10-30)18-17(11-26-29-18)28-20-16-5-6-23-19(16)24-13-25-20/h1-6,11,13,22H,7-10,12H2,(H,26,29)(H,27,31)(H2,23,24,25,28)
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n/an/a 4.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270335
PNG
(CHEMBL4088753)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1ncnc2ccccc12
Show InChI InChI=1S/C23H23N7O2/c31-23(27-17-7-5-16(6-8-17)14-30-9-11-32-12-10-30)21-20(13-26-29-21)28-22-18-3-1-2-4-19(18)24-15-25-22/h1-8,13,15H,9-12,14H2,(H,26,29)(H,27,31)(H,24,25,28)
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n/an/a 5.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270317
PNG
(CHEMBL4067804)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ccnc4ccc(Br)cc34)cc2)CC1
Show InChI InChI=1S/C25H26BrN7O/c1-32-10-12-33(13-11-32)16-17-2-5-19(6-3-17)29-25(34)24-23(15-28-31-24)30-22-8-9-27-21-7-4-18(26)14-20(21)22/h2-9,14-15H,10-13,16H2,1H3,(H,27,30)(H,28,31)(H,29,34)
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n/an/a 5.70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270298
PNG
(CHEMBL4075720)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1
Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)
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n/an/a 5.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270342
PNG
(CHEMBL4103390)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H22N8O2/c30-21(26-15-3-1-14(2-4-15)12-29-7-9-31-10-8-29)18-17(11-25-28-18)27-20-16-5-6-22-19(16)23-13-24-20/h1-6,11,13H,7-10,12H2,(H,25,28)(H,26,30)(H2,22,23,24,27)
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n/an/a 7.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270354
PNG
(CHEMBL4073283)
Show SMILES Cc1sc2ncnc(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1C
Show InChI InChI=1S/C23H25N7O2S/c1-14-15(2)33-23-19(14)21(24-13-25-23)28-18-11-26-29-20(18)22(31)27-17-5-3-16(4-6-17)12-30-7-9-32-10-8-30/h3-6,11,13H,7-10,12H2,1-2H3,(H,26,29)(H,27,31)(H,24,25,28)
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n/an/a 7.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270318
PNG
(CHEMBL4071450)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4ccccc34)cc2)CC1
Show InChI InChI=1S/C24H26N8O/c1-31-10-12-32(13-11-31)15-17-6-8-18(9-7-17)28-24(33)22-21(14-27-30-22)29-23-19-4-2-3-5-20(19)25-16-26-23/h2-9,14,16H,10-13,15H2,1H3,(H,27,30)(H,28,33)(H,25,26,29)
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n/an/a 8.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270303
PNG
(CHEMBL4061686)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4ccsc34)cc2)CC1
Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-22(31)19-18(12-25-28-19)27-21-20-17(6-11-32-20)23-14-24-21/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)
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n/an/a 9.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270334
PNG
(CHEMBL4099013)
Show SMILES CC(C)c1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)ncnc2s1
Show InChI InChI=1S/C24H27N7O2S/c1-15(2)20-11-18-22(25-14-26-24(18)34-20)29-19-12-27-30-21(19)23(32)28-17-5-3-16(4-6-17)13-31-7-9-33-10-8-31/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,27,30)(H,28,32)(H,25,26,29)
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n/an/a 9.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50539903
PNG
(CHEMBL4641226)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC3)C(=O)C=C)s2)o1
Show InChI InChI=1S/C20H26N4O3S2/c1-5-16(25)24-8-6-13(7-9-24)18(26)23-19-22-11-17(29-19)28-12-15-21-10-14(27-15)20(2,3)4/h5,10-11,13H,1,6-9,12H2,2-4H3,(H,22,23,26)
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n/an/a 11n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA1 expressed in baculovirus infected Sf9 insect cells using FRET-labeled...

J Med Chem 63: 6708-6726 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01929
BindingDB Entry DOI: 10.7270/Q25M698Z
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50539902
PNG
(CHEMBL4644893)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
Show InChI InChI=1S/C27H31N5O4S2/c1-5-21(33)30-19-10-8-17(9-11-19)25(35)32-12-6-7-18(15-32)24(34)31-26-29-14-23(38-26)37-16-22-28-13-20(36-22)27(2,3)4/h5,8-11,13-14,18H,1,6-7,12,15-16H2,2-4H3,(H,30,33)(H,29,31,34)
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n/an/a 11n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA1 expressed in baculovirus infected Sf9 insect cells using FRET-labeled...

J Med Chem 63: 6708-6726 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01929
BindingDB Entry DOI: 10.7270/Q25M698Z
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270332
PNG
(CHEMBL4077278)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1ncnc2ccsc12
Show InChI InChI=1S/C21H21N7O2S/c29-21(25-15-3-1-14(2-4-15)12-28-6-8-30-9-7-28)18-17(11-24-27-18)26-20-19-16(5-10-31-19)22-13-23-20/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,25,29)(H,22,23,26)
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270307
PNG
(CHEMBL4092761)
Show SMILES CCN(CC)Cc1ccc(NC(=O)c2n[nH]cc2Nc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C21H24N8O/c1-3-29(4-2)12-14-5-7-15(8-6-14)26-21(30)18-17(11-25-28-18)27-20-16-9-10-22-19(16)23-13-24-20/h5-11,13H,3-4,12H2,1-2H3,(H,25,28)(H,26,30)(H2,22,23,24,27)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50539906
PNG
(CHEMBL4648005 | US11142507, Compound MFH-3-35-1)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(C3)Nc3ccc(NC(=O)C=C)cc3)s2)o1
Show InChI InChI=1S/C26H33N5O2S2/c1-5-22(32)30-18-11-9-17(10-12-18)29-19-7-6-8-20(13-19)31-25-28-15-24(35-25)34-16-23-27-14-21(33-23)26(2,3)4/h5,9-12,14-15,19-20,29H,1,6-8,13,16H2,2-4H3,(H,28,31)(H,30,32)
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n/an/a 16n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA1 expressed in baculovirus infected Sf9 insect cells using FRET-labeled...

J Med Chem 63: 6708-6726 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01929
BindingDB Entry DOI: 10.7270/Q25M698Z
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50576561
PNG
(CHEMBL4876559)
Show SMILES Cc1n[nH]cc1-c1nc2c(F)cc3[nH]ncc3c2c2CCCCc12
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270305
PNG
(CHEMBL4103338)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4occc34)cc2)CC1
Show InChI InChI=1S/C22H24N8O2/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)
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n/an/a 17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50576543
PNG
(CHEMBL4870754)
Show SMILES OC1CCc2c(C1)c(nc1ccc3[nH]ncc3c21)-c1c[nH]nc1C(F)(F)F
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA1 expressed in baculovirus infected Sf9 insect cells using FRET-labeled...

J Med Chem 63: 6708-6726 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01929
BindingDB Entry DOI: 10.7270/Q25M698Z
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270356
PNG
(CHEMBL4064843)
Show SMILES Brc1ccc2nccc(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C24H23BrN6O2/c25-17-3-6-20-19(13-17)21(7-8-26-20)29-22-14-27-30-23(22)24(32)28-18-4-1-16(2-5-18)15-31-9-11-33-12-10-31/h1-8,13-14H,9-12,15H2,(H,26,29)(H,27,30)(H,28,32)
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n/an/a 24n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50563174
PNG
(CHEMBL1708376)
Show SMILES Cc1nn(-c2nccs2)c2C(Br)C(C)(C)CC(=O)c12
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113232
BindingDB Entry DOI: 10.7270/Q22J6GMW
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270337
PNG
(CHEMBL4075466)
Show SMILES COc1ccc2ncnc(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C24H25N7O3/c1-33-18-6-7-20-19(12-18)23(26-15-25-20)29-21-13-27-30-22(21)24(32)28-17-4-2-16(3-5-17)14-31-8-10-34-11-9-31/h2-7,12-13,15H,8-11,14H2,1H3,(H,27,30)(H,28,32)(H,25,26,29)
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n/an/a 30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50576545
PNG
(CHEMBL4866768)
Show SMILES FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2CCCCCc12
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50515042
PNG
(CHEMBL4593398)
Show SMILES FC(F)(F)c1n[nH]cc1-c1nc2ccc3[nH]ncc3c2c2CCCCc12
Show InChI InChI=1S/C18H14F3N5/c19-18(20,21)17-12(8-23-26-17)16-10-4-2-1-3-9(10)15-11-7-22-25-13(11)5-6-14(15)24-16/h5-8H,1-4H2,(H,22,25)(H,23,26)
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50576556
PNG
(CHEMBL4856733)
Show SMILES Fc1cc2[nH]ncc2c2c3CCCCc3c(nc12)-c1c[nH]nc1C(F)(F)F
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50576558
PNG
(CHEMBL4873799)
Show SMILES Fc1cc2[nH]ncc2c2c3CCCCc3c(nc12)-c1cn[nH]c1
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50576541
PNG
(CHEMBL4869193)
Show SMILES [O-][S+]1CCc2c(C1)c(nc1ccc3[nH]ncc3c21)-c1c[nH]nc1C(F)(F)F
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50563177
PNG
(CHEMBL4763182)
Show SMILES Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccncn1
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113232
BindingDB Entry DOI: 10.7270/Q22J6GMW
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50576552
PNG
(CHEMBL4869214)
Show SMILES CCc1c(C)c(nc2ccc3[nH]ncc3c12)-c1c[nH]nc1C(F)(F)F
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50576559
PNG
(CHEMBL4864901)
Show SMILES Fc1cc2[nH]ncc2c2c3C4CCC(C4)c3c(nc12)-c1c[nH]nc1C(F)(F)F
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270360
PNG
(CHEMBL4098796)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1n[nH]cc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-11-2-1-3-12(18)13(11)16(25)22-14-10(8-20-23-14)15(24)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,21,24)(H2,20,22,23,25)
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n/an/a 57n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50576560
PNG
(CHEMBL4867152)
Show SMILES NCC1CCc2c(C1)c(nc1c(F)cc3[nH]ncc3c21)-c1c[nH]nc1C(F)(F)F
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n/an/a 58n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00330
BindingDB Entry DOI: 10.7270/Q2862M9D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50539901
PNG
(CHEMBL4643057)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3cccc(NC(=O)C=C)c3)s2)o1
Show InChI InChI=1S/C21H22N4O3S2/c1-5-16(26)24-14-8-6-7-13(9-14)19(27)25-20-23-11-18(30-20)29-12-17-22-10-15(28-17)21(2,3)4/h5-11H,1,12H2,2-4H3,(H,24,26)(H,23,25,27)
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n/an/a 59n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA1 expressed in baculovirus infected Sf9 insect cells using FRET-labeled...

J Med Chem 63: 6708-6726 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01929
BindingDB Entry DOI: 10.7270/Q25M698Z
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50270336
PNG
(CHEMBL4059849)
Show SMILES Clc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(CN3CCOCC3)cc2)c2ccccc2n1
Show InChI InChI=1S/C23H22ClN7O2/c24-23-28-18-4-2-1-3-17(18)21(29-23)27-19-13-25-30-20(19)22(32)26-16-7-5-15(6-8-16)14-31-9-11-33-12-10-31/h1-8,13H,9-12,14H2,(H,25,30)(H,26,32)(H,27,28,29)
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n/an/a 59n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...

J Med Chem 61: 1499-1518 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K
More data for this
Ligand-Target Pair
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