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Compile Data Set for Download or QSAR

Found 171 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 13' AND taxid = 9606   
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
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478951
PNG
(2-(6-(1-acryloyl-2,5-dihydro-1H-pyrrol-3-yl)pyridi...)
Show SMILES C=CC(=O)N1CC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:6|
Show InChI InChI=1S/C20H21N5O2/c1-2-20(27)25-8-7-15(12-25)16-6-3-13(11-21-16)9-19(26)22-18-10-17(23-24-18)14-4-5-14/h2-3,6-7,10-11,14H,1,4-5,8-9,12H2,(H2,22,23,24,26)
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n/an/a 0.900n/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478782
PNG
((Isomer-1 of compound-35): 2-(1''-acryloyl-1'',2''...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCCN(C1)C(=O)C=C |w:1.0,t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478952
PNG
((E)-2-(1'-(but-2-enoyl)-1',2',5',6'-tetrahydro-[2,...)
Show SMILES C\C=C\C(=O)N1CCC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:8|
Show InChI InChI=1S/C22H25N5O2/c1-2-4-22(29)27-10-3-5-17(14-27)18-9-6-15(13-23-18)11-21(28)24-20-12-19(25-26-20)16-7-8-16/h2,4-6,9,12-13,16H,3,7-8,10-11,14H2,1H3,(H2,24,25,26,28)/b4-2+
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478281
PNG
(2-(1'-acryloyl-1',2',3',6'-tetrahydro-[2,4'-bipyri...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C=C |t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478947
PNG
(2-(1'-acryloyl-1',2',5',6'-tetrahydro-[2,3'-bipyri...)
Show SMILES C=CC(=O)N1CCC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:7|
Show InChI InChI=1S/C21H23N5O2/c1-2-21(28)26-9-3-4-16(13-26)17-8-5-14(12-22-17)10-20(27)23-19-11-18(24-25-19)15-6-7-15/h2,4-5,8,11-12,15H,1,3,6-7,9-10,13H2,(H2,23,24,25,27)
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478422
PNG
((S)-2-(4-(1-acryloyl-1,2,5,6-tetrahydropyridin-3-y...)
Show SMILES C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCCN(C1)C(=O)C=C |r,t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478954
PNG
(2-(1'-(but-2-ynoyl)-1',2',5',6'-tetrahydro-[2,3'-b...)
Show SMILES CC#CC(=O)N1CCC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:8|
Show InChI InChI=1S/C22H23N5O2/c1-2-4-22(29)27-10-3-5-17(14-27)18-9-6-15(13-23-18)11-21(28)24-20-12-19(25-26-20)16-7-8-16/h5-6,9,12-13,16H,3,7-8,10-11,14H2,1H3,(H2,24,25,26,28)
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478485
PNG
((S)-2-(4-(1-acryloyl-1,2,3,6-tetrahydropyridin-4-y...)
Show SMILES C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)C=C |r,t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478942
PNG
(2-(4-(1-acryloyl-1,2,3,6-tetrahydropyridin-4-yl)-3...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(C2=CCN(CC2)C(=O)C=C)c(F)c1 |w:1.0,t:19|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478326
PNG
(2-(1''-acryloyl-1'',2'',3'',6''-tetrahydro-[2,4''-...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C=C |w:1.0,t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478934
PNG
(2-(1'-acryloyl-1',2',5',6'-tetrahydro-[2,3'-bipyri...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCCN(C1)C(=O)C=C |t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478944
PNG
(2-(6-(1-acryloyl-2,5-dihydro-1H-pyrrol-3-yl)pyridi...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(C1)C(=O)C=C |w:1.0,t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478946
PNG
(2-(6-(1-acryloylpyrrolidin-3-yl)pyridin-3-yl)-N-(5...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1CCN(C1)C(=O)C=C
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478944
PNG
(2-(6-(1-acryloyl-2,5-dihydro-1H-pyrrol-3-yl)pyridi...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(C1)C(=O)C=C |w:1.0,t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478328
PNG
((S)-2-(4-(1-acryloylpiperidin-4-yl)phenyl)-N-(5-cy...)
Show SMILES C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1CCN(CC1)C(=O)C=C |r|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478948
PNG
(N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1'-propioloyl...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C#C[Si](C)(C)C |t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))
BDBM50367676
PNG
(CHEMBL4160662)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)|
Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...


J Med Chem 61: 7710-7728 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00683
BindingDB Entry DOI: 10.7270/Q2HX1G6F
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM50590457
PNG
(CHEMBL5193291)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.66,-3.08,;9.33,-3.85,;8,-3.08,;6.66,-3.85,;6.66,-5.39,;8,-6.16,;9.33,-5.39,;10.66,-6.16,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;0,-1.54,;0,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.53,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-6.67,-3.85,;-9.33,-.77,;-10.66,0,;1.33,.77,;0,1.54,;2.67,1.54,;2.67,3.08,;4,3.85,;4,5.39,;5.33,6.16,;6.67,5.39,;6.67,3.86,;5.34,3.08,)|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114603
BindingDB Entry DOI: 10.7270/Q28K7F2W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478955
PNG
(N-(5-cyclopropy1-1H-pyrazol-3-yl)-2-(1'-methacrylo...)
Show SMILES CC(=C)C(=O)N1CCC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:8|
Show InChI InChI=1S/C22H25N5O2/c1-14(2)22(29)27-9-3-4-17(13-27)18-8-5-15(12-23-18)10-21(28)24-20-11-19(25-26-20)16-6-7-16/h4-5,8,11-12,16H,1,3,6-7,9-10,13H2,2H3,(H2,24,25,26,28)
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM50590457
PNG
(CHEMBL5193291)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.66,-3.08,;9.33,-3.85,;8,-3.08,;6.66,-3.85,;6.66,-5.39,;8,-6.16,;9.33,-5.39,;10.66,-6.16,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;0,-1.54,;0,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.53,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-6.67,-3.85,;-9.33,-.77,;-10.66,0,;1.33,.77,;0,1.54,;2.67,1.54,;2.67,3.08,;4,3.85,;4,5.39,;5.33,6.16,;6.67,5.39,;6.67,3.86,;5.34,3.08,)|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114603
BindingDB Entry DOI: 10.7270/Q28K7F2W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478758
PNG
(2-(4-(4-acryloylpiperazin-1-yl)phenyl)-N-(5-cyclop...)
Show SMILES C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)N1CCN(CC1)C(=O)C=C |r|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478430
PNG
(2-(4-(1-acryloyl-1,2,3,6-tetrahydropyridin-4-yl)ph...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))
BDBM50597426
PNG
(CHEMBL5169449)
Show SMILES NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCC3)c2n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478327
PNG
(N-(4-(4-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-...)
Show SMILES C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)C1CCC(CC1)NC(=O)C=C |r,wU:1.0,(-3.35,4.85,;-2.02,4.08,;-.69,4.85,;.65,4.08,;-.69,6.39,;.65,7.16,;2.05,6.53,;3.08,7.68,;2.31,9.01,;.81,8.69,;4.62,7.52,;5.86,6.61,;6.02,8.14,;-2.02,2.54,;-.69,1.77,;-.69,.23,;-2.02,-.54,;-3.35,.23,;-3.35,1.77,;-2.02,-2.08,;-3.35,-2.85,;-3.35,-4.39,;-2.02,-5.16,;-.69,-4.39,;-.69,-2.85,;-2.02,-6.7,;-3.35,-7.47,;-3.35,-9.01,;-4.69,-6.7,;-6.02,-7.47,)|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478350
PNG
((S,E)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-(1-(4...)
Show SMILES C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)\C=C\CN(C)C |r,t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478957
PNG
(2-(1'-acryloyl-1',2',3',6'-tetrahydro-[2,4'-bipyri...)
Show SMILES C=CC(=O)N1CCC(=CC1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:7|
Show InChI InChI=1S/C21H23N5O2/c1-2-21(28)26-9-7-16(8-10-26)17-6-3-14(13-22-17)11-20(27)23-19-12-18(24-25-19)15-4-5-15/h2-3,6-7,12-13,15H,1,4-5,8-11H2,(H2,23,24,25,27)
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478950
PNG
(2-(1'-(but-2-ynoyl)-1',2',5',6'-tetrahydro-[2,3'-b...)
Show SMILES CC#CC(=O)N1CCC=C(C1)c1ccc(cn1)C(C)C(=O)Nc1cc([nH]n1)C1CC1 |c:8|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478489
PNG
(N-(4'-(1 ((5-cyclopropyl-1H-pyrazol-3-yl)amino)-1-...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCC(CC1)NC(=O)C=C |t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478491
PNG
(2-(4-(1-acryloyl-2,3,6,7-tetrahydro-1H-azepin-4-yl...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCCN(CC1)C(=O)C=C |t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))
BDBM50597424
PNG
(CHEMBL5187378)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3cnccn3)nc(SCCN)nc12
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))
BDBM50597425
PNG
(CHEMBL5194202)
Show SMILES NCCSc1nc(NCc2ccc(cc2)-n2cccn2)c2[nH]nc(C3CCC3)c2n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478949
PNG
(2-(1'-(but-2-ynoyl)-1',2',3',6'-tetrahydro-[2,4'-b...)
Show SMILES CC#CC(=O)N1CCC(=CC1)c1ccc(cn1)C(C)C(=O)Nc1cc([nH]n1)C1CC1 |c:8|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478329
PNG
(2-(6-(1-acryloylpiperidin-4-yl)pyridin-3-yl)-N-(5-...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1CCN(CC1)C(=O)C=C
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478939
PNG
(2-(6-(1-acryloylpiperidin-3-yl)pyridin-3-yl)-N-(5-...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1CCCN(C1)C(=O)C=C
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478351
PNG
((S,E)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-(1-(4...)
Show SMILES C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)\C=C\CN1CCOCC1 |r,t:22|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478666
PNG
(N-(4-(4-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)C1CCC(CC1)NC(=O)C=C |r,wD:1.0,(-3.35,4.85,;-2.02,4.08,;-.69,4.85,;.65,4.08,;-.69,6.39,;.65,7.16,;2.05,6.53,;3.08,7.68,;2.31,9.01,;.81,8.69,;4.62,7.52,;5.86,6.61,;6.02,8.14,;-2.02,2.54,;-.69,1.77,;-.69,.23,;-2.02,-.54,;-3.35,.23,;-3.35,1.77,;-2.02,-2.08,;-3.35,-2.85,;-3.35,-4.39,;-2.02,-5.16,;-.69,-4.39,;-.69,-2.85,;-2.02,-6.7,;-3.35,-7.47,;-3.35,-9.01,;-4.69,-6.7,;-6.02,-7.47,)|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
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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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-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))
BDBM50573506
PNG
(CHEMBL4861833)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
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TBA

Assay Description
Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478941
PNG
(2-(1'-acryloyl-1',2',5',6'-tetrahydro-[2,3'-bipyri...)
Show SMILES CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCCN(C1)C(=O)C=C |t:24|
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(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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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...


J Med Chem 61: 7710-7728 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00683
BindingDB Entry DOI: 10.7270/Q2HX1G6F
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))
BDBM50597419
PNG
(CHEMBL5182767)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))
BDBM50540080
PNG
(CHEMBL4648857)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m0/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01719
BindingDB Entry DOI: 10.7270/Q2HQ43WX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))
BDBM50528813
PNG
(CHEMBL4163879)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1
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Assay Description
Inhibition of CDK13/human cyclin K expressed in baculovirus-infected insect cells using pol2 CTD-peptide substrate and [gammaP]ATP by scintillation c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00766
BindingDB Entry DOI: 10.7270/Q2GX4G9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K


(Homo sapiens (Human))
BDBM50528813
PNG
(CHEMBL4163879)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive irreversible inhibition of CDK13/cyclinK (unknown origin) in presence of Km ATP


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM50540080
PNG
(CHEMBL4648857)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m0/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02190
BindingDB Entry DOI: 10.7270/Q2BV7MPD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM50540080
PNG
(CHEMBL4648857)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m0/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02190
BindingDB Entry DOI: 10.7270/Q2BV7MPD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM50540080
PNG
(CHEMBL4648857)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m0/s1
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The First Affiliated Hospital of Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of CDK13 (unknown origin)


Eur J Med Chem 164: 615-639 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.003
BindingDB Entry DOI: 10.7270/Q2C53QDZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478330
PNG
((S,E)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-(1-(4...)
Show SMILES C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)\C=C\CBr |r,t:22|
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n/an/a 72n/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13


(Homo sapiens (Human))
BDBM478360
PNG
(N-(1-(4-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)N1CCC(CC1)NC(=O)C=C
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Aurigene Discovery Technologies Limited

US Patent


Assay Description
LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...


US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
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