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Compile Data Set for Download or QSAR

Found 3985 hits of ic50 for UniProtKB: A0A024R880   
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-dependent kinase 9


(Homo sapiens (Human))
BDBM120943
PNG
(US8716296, 89)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1
Show InChI InChI=1S/C18H14ClFN4O3/c1-26-15-4-3-12(20)6-13(15)14-7-16(23-10-22-14)24-17(25)9-27-18-5-2-11(19)8-21-18/h2-8,10H,9H2,1H3,(H,22,23,24,25)
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US Patent
n/an/a 0.00500n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120941
PNG
(US8716296, 82)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1
Show InChI InChI=1S/C18H15FN4O2/c1-25-16-5-4-13(19)8-14(16)15-9-17(22-11-21-15)23-18(24)7-12-3-2-6-20-10-12/h2-6,8-11H,7H2,1H3,(H,21,22,23,24)
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n/an/a 0.0150n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120934
PNG
(US8716296, 2)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)C2CCCNC2)ncn1
Show InChI InChI=1S/C17H19FN4O2/c1-24-15-5-4-12(18)7-13(15)14-8-16(21-10-20-14)22-17(23)11-3-2-6-19-9-11/h4-5,7-8,10-11,19H,2-3,6,9H2,1H3,(H,20,21,22,23)
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n/an/a 0.0180n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120936
PNG
(US8716296, 5 | US8716296, 6)
Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
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n/an/a 0.0190n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120942
PNG
(US8716296, 83)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2ccncc2)ncn1
Show InChI InChI=1S/C18H15FN4O2/c1-25-16-3-2-13(19)9-14(16)15-10-17(22-11-21-15)23-18(24)8-12-4-6-20-7-5-12/h2-7,9-11H,8H2,1H3,(H,21,22,23,24)
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n/an/a 0.0290n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120935
PNG
(US8716296, 3)
Show SMILES COc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1
Show InChI InChI=1S/C17H19FN4O2/c1-24-14-6-2-5-12(18)16(14)13-8-15(21-10-20-13)22-17(23)11-4-3-7-19-9-11/h2,5-6,8,10-11,19H,3-4,7,9H2,1H3,(H,20,21,22,23)
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n/an/a 0.0390n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120939
PNG
(US8716296, 52)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C20H20N4O4S/c1-13-8-9-14(10-16(13)24-29(3,26)27)20(25)23-19-11-17(21-12-22-19)15-6-4-5-7-18(15)28-2/h4-12,24H,1-3H3,(H,21,22,23,25)
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n/an/a 0.116n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120936
PNG
(US8716296, 5 | US8716296, 6)
Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
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n/an/a 0.173n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50454441
PNG
(CHEMBL4217448)
Show SMILES COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
Show InChI InChI=1S/C20H16F2N6O3S2/c1-11-26-27-20(32-11)28-33(29,30)13-5-3-12(4-6-13)24-19-23-10-9-15(25-19)17-16(31-2)8-7-14(21)18(17)22/h3-10H,1-2H3,(H,27,28)(H,23,24,25)
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n/an/a 0.400n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...


Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM444516
PNG
(US10662186, Compound 38)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F
Show InChI InChI=1S/C26H25F2N7O/c1-5-23(36)34-9-8-20-16(13-34)6-7-22(31-20)32-26-29-12-19(28)24(33-26)17-10-18(27)25-21(11-17)35(14(2)3)15(4)30-25/h5-7,10-12,14H,1,8-9,13H2,2-4H3,(H,29,31,32,33)
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n/an/a 0.920n/an/an/an/an/an/a



SHANGHAI PHARMACEUTICALS HOLDING CO., LTD.

US Patent


Assay Description
1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...


US Patent US10662186 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50193103
PNG
(CHEMBL3957795)
Show SMILES CS(=O)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccnc(F)c2)c1
Show InChI InChI=1S/C23H19F2N5O3S/c1-34(31,32)13-16-3-2-4-18(9-16)29-23-28-14-27-22(30-23)19-6-5-17(24)11-20(19)33-12-15-7-8-26-21(25)10-15/h2-11,14H,12-13H2,1H3,(H,27,28,29,30)
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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 human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincu...


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 9


(Homo sapiens (Human))
BDBM180827
PNG
(US9133171, 32)
Show SMILES COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1S/C21H19F2N5O3S/c1-30-16-7-13(11-32(3,29)26-12-24)6-15(9-16)27-21-25-10-18(23)20(28-21)17-5-4-14(22)8-19(17)31-2/h4-10H,11H2,1-3H3,(H,25,27,28)
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n/an/a 1n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50454411
PNG
(CHEMBL4209151)
Show SMILES COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
Show InChI InChI=1S/C22H20FN5O4S/c1-13-14(2)27-32-21(13)28-33(29,30)16-9-7-15(8-10-16)25-22-24-12-11-18(26-22)20-17(23)5-4-6-19(20)31-3/h4-12,28H,1-3H3,(H,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...


Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50466210
PNG
(CHEMBL4281048)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1
Show InChI InChI=1S/C24H33ClN6O2S/c1-32-11-8-27-17-2-4-18(5-3-17)30-22-12-19(20(25)13-28-22)21-14-34-23(31-21)29-16-24(15-26)6-9-33-10-7-24/h12-14,17-18,27H,2-11,16H2,1H3,(H,28,30)(H,29,31)/t17-,18-
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n/an/a 1n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length His-tagged human CDK9/CyclinT1 expressed in baculovirus expression system


Eur J Med Chem 158: 896-916 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.025
BindingDB Entry DOI: 10.7270/Q2DJ5J9D
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187124
PNG
(US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F
Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)
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n/an/a 1n/an/an/an/a8.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50193096
PNG
(CHEMBL3977324)
Show SMILES Fc1ccc(nc1NCC1CCOCC1)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C22H27ClFN5O2/c23-17-13-26-20(29-22(30)15-2-1-7-25-12-15)10-16(17)19-4-3-18(24)21(28-19)27-11-14-5-8-31-9-6-14/h3-4,10,13-15,25H,1-2,5-9,11-12H2,(H,27,28)(H,26,29,30)/t15-/m1/s1
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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 CDK9/cyclin T1 (unknown origin) using cdk7tide peptide as substrate


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 9 (CDK9)


(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>1n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST/His6-tagged CDK9 (M1 to F372 residues)/N-terminal His6-tagged CyclinT1 (M1 to K726 residue...


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 9 (CDK9)


(Homo sapiens (Human))
BDBM50454379
PNG
(CHEMBL4205123)
Show SMILES COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
Show InChI InChI=1S/C22H19F2N5O4S/c1-12-13(2)28-33-21(12)29-34(30,31)15-6-4-14(5-7-15)26-22-25-11-10-17(27-22)19-18(32-3)9-8-16(23)20(19)24/h4-11,29H,1-3H3,(H,25,26,27)
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n/an/a 1n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...


Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(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 1n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (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 9


(Homo sapiens (Human))
BDBM120940
PNG
(US8716296, 53)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C19H18N4O4S/c1-27-17-9-4-3-8-15(17)16-11-18(21-12-20-16)22-19(24)13-6-5-7-14(10-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)
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US Patent
n/an/a 1.08n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM120938
PNG
(US8716296, 51)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)ncn1
Show InChI InChI=1S/C19H18N4O4S/c1-27-17-6-4-3-5-15(17)16-11-18(21-12-20-16)22-19(24)13-7-9-14(10-8-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)
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n/an/a 1.25n/an/an/an/a7.5n/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


US Patent US8716296 (2014)


BindingDB Entry DOI: 10.7270/Q2PN949G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM25036
PNG
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 1.40n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (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 9 (CDK9)


(Homo sapiens (Human))
BDBM25036
PNG
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 1.40n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay


Bioorg Med Chem 23: 6280-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.035
BindingDB Entry DOI: 10.7270/Q2KK9DM6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(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 CDK9/cyclin-T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC 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 9 (CDK9)


(Homo sapiens (Human))
BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclin D1 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay


J Med Chem 61: 1664-1687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01765
BindingDB Entry DOI: 10.7270/Q2DV1NC4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK9


Bioorg Med Chem 27: 677-685 (2019)


Article DOI: 10.1016/j.bmc.2019.01.027
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50454184
PNG
(CHEMBL4205015)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCC(N)CC3)nc12
Show InChI InChI=1S/C21H29N7/c1-13(2)17-18-19(28-27-17)20(23-12-14-6-4-3-5-7-14)26-21(25-18)24-16-10-8-15(22)9-11-16/h3-7,13,15-16H,8-12,22H2,1-2H3,(H,27,28)(H2,23,24,25,26)
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n/an/a 1.90n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST/His6-tagged CDK9 (M1 to F372 residues)/N-terminal His6-tagged CyclinT1 (M1 to K726 residue...


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 9 (CDK9)


(Homo sapiens (Human))
BDBM384362
PNG
(US9932327, Compound 33)
Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+
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n/an/a 2n/an/an/an/an/an/a



The Council of Scientific & Industrial Research

US Patent


Assay Description
CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...


US Patent US9932327 (2018)


BindingDB Entry DOI: 10.7270/Q25Q4ZDW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180843
PNG
(US9133171, 48)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
Show InChI InChI=1S/C22H19F2N5O2S/c1-31-20-10-15(23)5-8-18(20)21-19(24)11-26-22(29-21)28-16-4-2-3-14(9-16)12-32(30,27-13-25)17-6-7-17/h2-5,8-11,17H,6-7,12H2,1H3,(H,26,28,29)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180837
PNG
(US9133171, 42)
Show SMILES CCS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
Show InChI InChI=1S/C21H18F3N5O2S/c1-3-32(30,27-12-25)11-13-6-15(23)8-16(7-13)28-21-26-10-18(24)20(29-21)17-5-4-14(22)9-19(17)31-2/h4-10H,3,11H2,1-2H3,(H,26,28,29)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180836
PNG
(US9133171, 41)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1S/C20H17F5N4O2S/c1-31-17-8-13(21)3-4-15(17)18-16(22)9-27-19(29-18)28-14-6-11(10-32(2,26)30)5-12(7-14)20(23,24)25/h3-9,26H,10H2,1-2H3,(H,27,28,29)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1S/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9133171 (2015)


BindingDB Entry DOI: 10.7270/Q2SX6C0W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM167858
PNG
(US9073922, 355)
Show SMILES Fc1cccc(CNc2nc(c(F)cc2F)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Show InChI InChI=1S/C24H22F3N5/c25-16-3-1-2-14(10-16)13-30-24-20(27)12-19(26)22(32-24)17-6-9-29-23-18(17)11-21(31-23)15-4-7-28-8-5-15/h1-3,6,9-12,15,28H,4-5,7-8,13H2,(H,29,31)(H,30,32)
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n/an/a 2n/an/an/an/an/an/a



AbbVie Inc

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


US Patent US9073922 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8C78
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50454382
PNG
(CHEMBL4206688)
Show SMILES CCOc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
Show InChI InChI=1S/C21H19FN6O3S2/c1-3-31-19-12-14(22)4-9-17(19)18-10-11-23-20(25-18)24-15-5-7-16(8-6-15)33(29,30)28-21-27-26-13(2)32-21/h4-12H,3H2,1-2H3,(H,27,28)(H,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...


Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50454392
PNG
(CHEMBL4204526)
Show SMILES CCOc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
Show InChI InChI=1S/C23H22FN5O4S/c1-4-32-20-7-5-6-18(24)21(20)19-12-13-25-23(27-19)26-16-8-10-17(11-9-16)34(30,31)29-22-14(2)15(3)28-33-22/h5-13,29H,4H2,1-3H3,(H,25,26,27)
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n/an/a 2n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...


Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50454396
PNG
(CHEMBL4207754)
Show SMILES COc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
Show InChI InChI=1S/C22H20FN5O4S/c1-13-14(2)27-32-21(13)28-33(29,30)17-7-5-16(6-8-17)25-22-24-11-10-19(26-22)18-9-4-15(23)12-20(18)31-3/h4-12,28H,1-3H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...


Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50454399
PNG
(CHEMBL4215419)
Show SMILES COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1
Show InChI InChI=1S/C20H16FN5O3S2/c1-29-17-4-2-3-15(21)18(17)16-9-10-22-19(25-16)24-13-5-7-14(8-6-13)31(27,28)26-20-23-11-12-30-20/h2-12H,1H3,(H,23,26)(H,22,24,25)
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n/an/a 2n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...


Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50454402
PNG
(CHEMBL4209357)
Show SMILES COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1
Show InChI InChI=1S/C20H17FN6O3S2/c1-12-25-26-20(31-12)27-32(28,29)14-8-6-13(7-9-14)23-19-22-11-10-16(24-19)18-15(21)4-3-5-17(18)30-2/h3-11H,1-2H3,(H,26,27)(H,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...


Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50454410
PNG
(CHEMBL4212641)
Show SMILES COc1cccc(F)c1-c1ccnc(Nc2cccc(Cn3cnc4ccccc34)c2)n1
Show InChI InChI=1S/C25H20FN5O/c1-32-23-11-5-8-19(26)24(23)21-12-13-27-25(30-21)29-18-7-4-6-17(14-18)15-31-16-28-20-9-2-3-10-22(20)31/h2-14,16H,15H2,1H3,(H,27,29,30)
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n/an/a 2n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...


Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM175041
PNG
(US9669034, 99 (rac)-4-{4-Fluoro-2-[(2-methylprop-2...)
Show SMILES CC(=C)COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
Show InChI InChI=1S/C21H22FN5O2S/c1-14(2)11-29-19-10-16(22)7-8-18(19)20-24-13-25-21(27-20)26-17-6-4-5-15(9-17)12-30(3,23)28/h4-10,13,23H,1,11-12H2,2-3H3,(H,24,25,26,27)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM176781
PNG
(US9669034, 104 (rac)-4-{4-Fluoro-2-[(3,4,5-trifluo...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cc(F)c(F)c(F)c2)c1
Show InChI InChI=1S/C24H19F4N5O2S/c1-36(29,34)12-14-3-2-4-17(7-14)32-24-31-13-30-23(33-24)18-6-5-16(25)10-21(18)35-11-15-8-19(26)22(28)20(27)9-15/h2-10,13,29H,11-12H2,1H3,(H,30,31,32,33)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM179848
PNG
(US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-...)
Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1
Show InChI InChI=1S/C21H19FN6O2S/c1-30-19-10-15(22)5-8-18(19)20-24-13-25-21(28-20)27-16-4-2-3-14(9-16)11-31(29,26-12-23)17-6-7-17/h2-5,8-10,13,17H,6-7,11H2,1H3,(H,24,25,27,28)
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n/an/a 2n/an/an/an/a8.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187120
PNG
(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)
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n/an/a 2n/an/an/an/a8.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187120
PNG
(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)
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n/an/a 2n/an/an/an/a8.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187121
PNG
(US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F
Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)
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n/an/a 2n/an/an/an/a8.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187122
PNG
(US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F
Show InChI InChI=1S/C19H16F3N3O3S/c1-28-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(5-17(22)24-19)10-29(2,26)27/h3-9H,10H2,1-2H3,(H,23,24,25)
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n/an/a 2n/an/an/an/a8.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM187124
PNG
(US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F
Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)
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n/an/a 2n/an/an/an/a8.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM179848
PNG
(US9669034, 113 (rac)-[Cyclopropyl(3-{[4-(4-fluoro-...)
Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)n1
Show InChI InChI=1S/C21H19FN6O2S/c1-30-19-10-15(22)5-8-18(19)20-24-13-25-21(28-20)27-16-4-2-3-14(9-16)11-31(29,26-12-23)17-6-7-17/h2-5,8-10,13,17H,6-7,11H2,1H3,(H,24,25,27,28)
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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 human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincu...


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 9 (CDK9)


(Homo sapiens (Human))
BDBM50193092
PNG
(CHEMBL3948080)
Show SMILES CC(C)Oc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C20H23ClFN3O2/c1-12(2)27-18-6-5-14(22)8-16(18)15-9-19(24-11-17(15)21)25-20(26)13-4-3-7-23-10-13/h5-6,8-9,11-13,23H,3-4,7,10H2,1-2H3,(H,24,25,26)/t13-/m1/s1
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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 CDK9/cyclin T1 (unknown origin) using cdk7tide peptide as substrate


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 9 (CDK9)


(Homo sapiens (Human))
BDBM170515
PNG
(US9669034, 90 (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(F)c2)c1
Show InChI InChI=1S/C24H21F2N5O2S/c1-34(27,32)14-17-5-3-7-20(11-17)30-24-29-15-28-23(31-24)21-9-8-19(26)12-22(21)33-13-16-4-2-6-18(25)10-16/h2-12,15,27H,13-14H2,1H3,(H,28,29,30,31)
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University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincu...


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
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