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Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'olson' and Initial = 'cm'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50181139
PNG
((S)-2-amino-2-cyclopropyl-1-((S)-4-(2,5-difluoroph...)
Show SMILES N[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
Show InChI InChI=1S/C21H20F2N2O2/c22-15-6-7-18(23)17(10-15)14-9-19(13-2-1-3-16(26)8-13)25(11-14)21(27)20(24)12-4-5-12/h1-3,6-10,12,19-20,26H,4-5,11,24H2/t19-,20-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay

Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50181138
PNG
((S)-2-amino-1-((S)-4-(2,5-difluorophenyl)-2-(3-hyd...)
Show SMILES CC(C)[C@H](N)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9|
Show InChI InChI=1S/C21H22F2N2O2/c1-12(2)20(24)21(27)25-11-14(17-10-15(22)6-7-18(17)23)9-19(25)13-4-3-5-16(26)8-13/h3-10,12,19-20,26H,11,24H2,1-2H3/t19-,20-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay

Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50181137
PNG
((S)-1-((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphen...)
Show SMILES CC(C)(C)[C@H](O)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
Show InChI InChI=1S/C22H23F2NO3/c1-22(2,3)20(27)21(28)25-12-14(17-11-15(23)7-8-18(17)24)10-19(25)13-5-4-6-16(26)9-13/h4-11,19-20,26-27H,12H2,1-3H3/t19-,20+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay

Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cyclin-T1/Cyclin-dependent kinase 9


(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 1.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50181141
PNG
((S)-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-...)
Show SMILES O[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
Show InChI InChI=1S/C21H19F2NO3/c22-15-6-7-18(23)17(10-15)14-9-19(13-2-1-3-16(25)8-13)24(11-14)21(27)20(26)12-4-5-12/h1-3,6-10,12,19-20,25-26H,4-5,11H2/t19-,20-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay

Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cyclin-T1/Cyclin-dependent kinase 9


(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 3.20n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50181142
PNG
((S)-4-(2,5-difluorophenyl)-N-(2-hydroxyethyl)-2-(3...)
Show SMILES CN(CCO)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9|
Show InChI InChI=1S/C20H20F2N2O3/c1-23(7-8-25)20(27)24-12-14(17-11-15(21)5-6-18(17)22)10-19(24)13-3-2-4-16(26)9-13/h2-6,9-11,19,25-26H,7-8,12H2,1H3/t19-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay

Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50181135
PNG
(CHEMBL206249 | rac-4-(2,5-difluorophenyl)-2-(3-hyd...)
Show SMILES CN(C1CCNCC1)C(=O)N1CC(=CC1c1cccc(O)c1)c1cc(F)ccc1F |c:13|
Show InChI InChI=1S/C23H25F2N3O2/c1-27(18-7-9-26-10-8-18)23(30)28-14-16(20-13-17(24)5-6-21(20)25)12-22(28)15-3-2-4-19(29)11-15/h2-6,11-13,18,22,26,29H,7-10,14H2,1H3
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n/an/a 5.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay

Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cyclin-T1/Cyclin-dependent kinase 9


(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 6n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50181136
PNG
((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N...)
Show SMILES CN(C)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:7|
Show InChI InChI=1S/C19H18F2N2O2/c1-22(2)19(25)23-11-13(16-10-14(20)6-7-17(16)21)9-18(23)12-4-3-5-15(24)8-12/h3-10,18,24H,11H2,1-2H3/t18-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay

Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
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))		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
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50181140
PNG
((S)-1-(4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-...)
Show SMILES CC(C)(C)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:8|
Show InChI InChI=1S/C21H21F2NO2/c1-21(2,3)20(26)24-12-14(17-11-15(22)7-8-18(17)23)10-19(24)13-5-4-6-16(25)9-13/h4-11,19,25H,12H2,1-3H3/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay

Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50539909
PNG
(CHEMBL4644643)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
Show InChI InChI=1S/C27H33N5O3S2/c1-6-22(33)30-19-11-8-18(9-12-19)25(34)32-15-20(10-7-17(32)2)31-26-29-14-24(37-26)36-16-23-28-13-21(35-23)27(3,4)5/h6,8-9,11-14,17,20H,1,7,10,15-16H2,2-5H3,(H,29,31)(H,30,33)/t17-,20+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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))		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))		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-dependent kinase 12


(Homo sapiens)		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human CDK12/cyclin K using Pol2-CTD as substrate by [gamma-33P]ATP-based radioisotope filter binding assay

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-T1/Cyclin-dependent kinase 9


(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 25n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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-T1/Cyclin-dependent kinase 9


(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 31n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human CDK13/cyclin K using Pol2-CTD as substrate by [gamma-33P]ATP-based radioisotope filter binding assay

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))		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))		BDBM50539909
PNG
(CHEMBL4644643)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
Show InChI InChI=1S/C27H33N5O3S2/c1-6-22(33)30-19-11-8-18(9-12-19)25(34)32-15-20(10-7-17(32)2)31-26-29-14-24(37-26)36-16-23-28-13-21(35-23)27(3,4)5/h6,8-9,11-14,17,20H,1,7,10,15-16H2,2-5H3,(H,29,31)(H,30,33)/t17-,20+/m0/s1
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n/an/a 73n/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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50539912
PNG
(CHEMBL4633672)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(c3)C(F)(F)F)s2)o1 |r|
Show InChI InChI=1S/C27H30F3N5O3S2/c1-5-21(36)34-19-9-8-16(11-18(19)27(28,29)30)24(37)35-10-6-7-17(14-35)33-25-32-13-23(40-25)39-15-22-31-12-20(38-22)26(2,3)4/h5,8-9,11-13,17H,1,6-7,10,14-15H2,2-4H3,(H,32,33)(H,34,36)/t17-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 99n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expressed in baculovirus infection system using Cdk7/9tide as substrate me...

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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 114n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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))		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 120n/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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50539911
PNG
(CHEMBL4644198)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(F)c3)s2)o1 |r|
Show InChI InChI=1S/C26H30FN5O3S2/c1-5-21(33)31-19-9-8-16(11-18(19)27)24(34)32-10-6-7-17(14-32)30-25-29-13-23(37-25)36-15-22-28-12-20(35-22)26(2,3)4/h5,8-9,11-13,17H,1,6-7,10,14-15H2,2-4H3,(H,29,30)(H,31,33)/t17-/m1/s1
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n/an/a 138n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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))		BDBM50539912
PNG
(CHEMBL4633672)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(c3)C(F)(F)F)s2)o1 |r|
Show InChI InChI=1S/C27H30F3N5O3S2/c1-5-21(36)34-19-9-8-16(11-18(19)27(28,29)30)24(37)35-10-6-7-17(14-35)33-25-32-13-23(40-25)39-15-22-31-12-20(38-22)26(2,3)4/h5,8-9,11-13,17H,1,6-7,10,14-15H2,2-4H3,(H,32,33)(H,34,36)/t17-/m1/s1
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n/an/a 142n/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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 184n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expressed in baculovirus infection system using Cdk7/9tide as substrate me...

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))		BDBM50539911
PNG
(CHEMBL4644198)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(F)c3)s2)o1 |r|
Show InChI InChI=1S/C26H30FN5O3S2/c1-5-21(33)31-19-9-8-16(11-18(19)27)24(34)32-10-6-7-17(14-32)30-25-29-13-23(37-25)36-15-22-28-12-20(35-22)26(2,3)4/h5,8-9,11-13,17H,1,6-7,10,14-15H2,2-4H3,(H,29,30)(H,31,33)/t17-/m1/s1
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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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50539907
PNG
(CHEMBL4644087)
Show SMILES C[C@@H]1[C@@H](CCCN1C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
Show InChI InChI=1S/C27H33N5O3S2/c1-6-22(33)30-19-11-9-18(10-12-19)25(34)32-13-7-8-20(17(32)2)31-26-29-15-24(37-26)36-16-23-28-14-21(35-23)27(3,4)5/h6,9-12,14-15,17,20H,1,7-8,13,16H2,2-5H3,(H,29,31)(H,30,33)/t17-,20-/m1/s1
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n/an/a 257n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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-dependent kinase 3/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 366n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length N-terminal GST-tagged CDK3/cyclin E1 expressed in baculovirus expression sys...

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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 457n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expressed in baculovirus infection system using Cdk7/9tide as substrate me...

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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50539910
PNG
(CHEMBL4645334)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cn3)s2)o1 |r|
Show InChI InChI=1S/C25H30N6O3S2/c1-5-20(32)29-16-8-9-18(26-11-16)23(33)31-10-6-7-17(14-31)30-24-28-13-22(36-24)35-15-21-27-12-19(34-21)25(2,3)4/h5,8-9,11-13,17H,1,6-7,10,14-15H2,2-4H3,(H,28,30)(H,29,32)/t17-/m1/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 557n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expressed in baculovirus infection system using Cdk7/9tide as substrate me...

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))		BDBM50539910
PNG
(CHEMBL4645334)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cn3)s2)o1 |r|
Show InChI InChI=1S/C25H30N6O3S2/c1-5-20(32)29-16-8-9-18(26-11-16)23(33)31-10-6-7-17(14-31)30-24-28-13-22(36-24)35-15-21-27-12-19(34-21)25(2,3)4/h5,8-9,11-13,17H,1,6-7,10,14-15H2,2-4H3,(H,28,30)(H,29,32)/t17-/m1/s1
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n/an/a 561n/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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50539909
PNG
(CHEMBL4644643)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
Show InChI InChI=1S/C27H33N5O3S2/c1-6-22(33)30-19-11-8-18(9-12-19)25(34)32-15-20(10-7-17(32)2)31-26-29-14-24(37-26)36-16-23-28-13-21(35-23)27(3,4)5/h6,8-9,11-14,17,20H,1,7,10,15-16H2,2-5H3,(H,29,31)(H,30,33)/t17-,20+/m0/s1
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n/an/a 609n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expressed in baculovirus infection system using Cdk7/9tide as substrate me...

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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50539908
PNG
(CHEMBL4636175)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC3CN(CC(F)(F)C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
Show InChI InChI=1S/C26H29F2N5O3S2/c1-5-20(34)31-17-8-6-16(7-9-17)23(35)33-13-18(10-26(27,28)15-33)32-24-30-12-22(38-24)37-14-21-29-11-19(36-21)25(2,3)4/h5-9,11-12,18H,1,10,13-15H2,2-4H3,(H,30,32)(H,31,34)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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-dependent kinase 5 activator 1


(Homo sapiens (Human))		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length GST/His-tagged CDK5/p25 expressed in baculovirus expression system using FRET-labeled Ser/Thr 12 as subst...

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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 1.14E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expressed in baculovirus infection system using Cdk7/9tide as substrate me...

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))		BDBM50539907
PNG
(CHEMBL4644087)
Show SMILES C[C@@H]1[C@@H](CCCN1C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
Show InChI InChI=1S/C27H33N5O3S2/c1-6-22(33)30-19-11-9-18(10-12-19)25(34)32-13-7-8-20(17(32)2)31-26-29-15-24(37-26)36-16-23-28-14-21(35-23)27(3,4)5/h6,9-12,14-15,17,20H,1,7-8,13,16H2,2-5H3,(H,29,31)(H,30,33)/t17-,20-/m1/s1
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n/an/a 1.42E+3n/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-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 1.47E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK1/cyclin B expressed in baculovirus expression system using FRET-labeled Ser/Thr 18 as subs...

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))		BDBM50539908
PNG
(CHEMBL4636175)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC3CN(CC(F)(F)C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1
Show InChI InChI=1S/C26H29F2N5O3S2/c1-5-20(34)31-17-8-6-16(7-9-17)23(35)33-13-18(10-26(27,28)15-33)32-24-30-12-22(38-24)37-14-21-29-11-19(36-21)25(2,3)4/h5-9,11-12,18H,1,10,13-15H2,2-4H3,(H,30,32)(H,31,34)
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n/an/a 1.48E+3n/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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50539922
PNG
(CHEMBL4636655)
Show SMILES Cc1nc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)sc1SCc1ncc(o1)C(C)(C)C |r|
Show InChI InChI=1S/C27H33N5O3S2/c1-6-22(33)30-19-11-9-18(10-12-19)24(34)32-13-7-8-20(15-32)31-26-29-17(2)25(37-26)36-16-23-28-14-21(35-23)27(3,4)5/h6,9-12,14,20H,1,7-8,13,15-16H2,2-5H3,(H,29,31)(H,30,33)/t20-/m1/s1
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n/an/a 2.87E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measure...

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-Y


(Homo sapiens)		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 3.13E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to recombinant human N-terminal GST-tagged full-length CDK14/Cyclin Y (2 to end residues) expressed in baculo...

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))		BDBM50539918
PNG
(CHEMBL4632815 | US11142507, Compound MFH-3-137-1)
Show SMILES CC(C)(C)c1cnc(CNCc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C27H34N6O3S/c1-5-23(34)31-19-10-8-18(9-11-19)25(35)33-12-6-7-20(17-33)32-26-30-14-21(37-26)13-28-16-24-29-15-22(36-24)27(2,3)4/h5,8-11,14-15,20,28H,1,6-7,12-13,16-17H2,2-4H3,(H,30,32)(H,31,34)/t20-/m1/s1
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n/an/a 3.17E+3n/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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50539912
PNG
(CHEMBL4633672)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(c3)C(F)(F)F)s2)o1 |r|
Show InChI InChI=1S/C27H30F3N5O3S2/c1-5-21(36)34-19-9-8-16(11-18(19)27(28,29)30)24(37)35-10-6-7-17(14-35)33-25-32-13-23(40-25)39-15-22-31-12-20(38-22)26(2,3)4/h5,8-9,11-13,17H,1,6-7,10,14-15H2,2-4H3,(H,32,33)(H,34,36)/t17-/m1/s1
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n/an/a 3.49E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expressed in baculovirus infection system using Cdk7/9tide as substrate me...

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-Y/Cyclin-dependent kinase 16


(Homo sapiens (Human))		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 3.83E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to recombinant human N-terminal GST-tagged human CDK16 (107 to end residues)/Cyclin Y (2 to end residues) exp...

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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50539910
PNG
(CHEMBL4645334)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cn3)s2)o1 |r|
Show InChI InChI=1S/C25H30N6O3S2/c1-5-20(32)29-16-8-9-18(26-11-16)23(33)31-10-6-7-17(14-31)30-24-28-13-22(36-24)35-15-21-27-12-19(34-21)25(2,3)4/h5,8-9,11-13,17H,1,6-7,10,14-15H2,2-4H3,(H,28,30)(H,29,32)/t17-/m1/s1
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n/an/a 3.89E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expressed in baculovirus infection system using Cdk7/9tide as substrate me...

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-C


(Homo sapiens (Human))		BDBM50539904
PNG
(CHEMBL4647764)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
Show InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
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n/an/a 4.49E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length His-tagged CDK8/cyclin C expressed in baculovirus expression system measured...

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
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