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Compile Data Set for Download or QSAR

Found 465 hits with Last Name = 'kwiatkowski' and Initial = 'np'   
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
Histone deacetylase 6


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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 21 -43.4n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...

J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM22450
PNG
(N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)[C@H]1O[C@@H](CSc2ccncc2)C[C@H](O1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35N3O5S/c34-28(10-6-1-2-7-11-29(35)33-36)32-24-14-12-23(13-15-24)30-37-25(21-39-26-16-18-31-19-17-26)20-27(38-30)22-8-4-3-5-9-22/h3-5,8-9,12-19,25,27,30,36H,1-2,6-7,10-11,20-21H2,(H,32,34)(H,33,35)/t25-,27+,30+/m1/s1
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 28 -42.7n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...

J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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 48 -41.4n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...

J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))		BDBM22450
PNG
(N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)[C@H]1O[C@@H](CSc2ccncc2)C[C@H](O1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35N3O5S/c34-28(10-6-1-2-7-11-29(35)33-36)32-24-14-12-23(13-15-24)30-37-25(21-39-26-16-18-31-19-17-26)20-27(38-30)22-8-4-3-5-9-22/h3-5,8-9,12-19,25,27,30,36H,1-2,6-7,10-11,20-21H2,(H,32,34)(H,33,35)/t25-,27+,30+/m1/s1
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 88 -39.9n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...

J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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 142 -38.7n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...

J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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 995 -33.9n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...

J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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 2.00E+3 -32.2n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...

J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM22450
PNG
(N-hydroxy-N -(4-{(2R,4S,6R)-4-phenyl-6-[(pyridin-4...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)[C@H]1O[C@@H](CSc2ccncc2)C[C@H](O1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35N3O5S/c34-28(10-6-1-2-7-11-29(35)33-36)32-24-14-12-23(13-15-24)30-37-25(21-39-26-16-18-31-19-17-26)20-27(38-30)22-8-4-3-5-9-22/h3-5,8-9,12-19,25,27,30,36H,1-2,6-7,10-11,20-21H2,(H,32,34)(H,33,35)/t25-,27+,30+/m1/s1
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 6.10E+3 -29.5n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...

J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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 6.30E+3 -29.4n/an/an/an/an/a7.422



University of Notre Dame



Assay Description
To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate...

J Med Chem 51: 2898-906 (2008)


Article DOI: 10.1021/jm7015254
BindingDB Entry DOI: 10.7270/Q2NC5ZG2
More data for this
Ligand-Target Pair
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
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
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
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM519553
PNG
(US11142507, Compound MFH-4-70-1)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
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n/an/a 9.86n/an/an/an/an/an/a


TBA

Assay Description
Jurkat cells were treated with DMSO or concentration of compound indicated. 6 hours after treatment, cells were washed and harvested by resuspending ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2


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



Harvard Medical School

Curated by ChEMBL


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

J Med Chem 63: 6708-6726 (2020)


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


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



Harvard Medical School

Curated by ChEMBL


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

J Med Chem 63: 6708-6726 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01929
BindingDB Entry DOI: 10.7270/Q25M698Z
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 11.3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM519554
PNG
(US11142507, Compound MFH-4-73-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
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n/an/a 11.9n/an/an/an/an/an/a


TBA

Assay Description
Jurkat cells were treated with DMSO or concentration of compound indicated. 6 hours after treatment, cells were washed and harvested by resuspending ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526794
PNG
(CHEMBL4303287 | US10787436, Compound I-18)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+
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n/an/a 13.9n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(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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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin)

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-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-dependent kinase 9


(Homo sapiens (Human))		BDBM519536
PNG
(US11142507, Compound MFH-3-110-1)
Show SMILES CC(C)(C)c1cnc(\C=C\c2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
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n/an/a 15.1n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM464083
PNG
(US10787436, Compound I-19)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Cl)c(Nc2ncc(C)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-20-18-35-32(39-30(20)25-19-34-27-8-5-4-7-24(25)27)38-28-17-23(14-15-26(28)33)37-31(42)21-10-12-22(13-11-21)36-29(41)9-6-16-40(2)3/h4-15,17-19,34H,16H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/b9-6+
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n/an/a 15.7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
More data for this
Ligand-Target Pair
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 15.7n/an/an/an/an/an/a


TBA

Assay Description
Jurkat cells were treated with DMSO or concentration of compound indicated. 6 hours after treatment, cells were washed and harvested by resuspending ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
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-dependent kinase 9


(Homo sapiens (Human))		BDBM519528
PNG
(US11142507, Compound MFH-2-102-1)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)Oc3ccc(NC(=O)C=C)cc3)s2)o1
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n/an/a 20.4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM464084
PNG
(US10787436, Compound I-20)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cc(Nc2ncc(C)c(n2)-c2c[nH]c3ccccc23)c(Cl)cc1C
Show InChI InChI=1S/C33H32ClN7O2/c1-20-16-26(34)29(39-33-36-18-21(2)31(40-33)25-19-35-27-9-6-5-8-24(25)27)17-28(20)38-32(43)22-11-13-23(14-12-22)37-30(42)10-7-15-41(3)4/h5-14,16-19,35H,15H2,1-4H3,(H,37,42)(H,38,43)(H,36,39,40)/b10-7+
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n/an/a 20.9n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
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 9


(Homo sapiens (Human))		BDBM519493
PNG
(US11142507, Compound MFH-2-95-1)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)C3CCC(CC3)NC(=O)C=C)s2)o1 |(7.03,2.4,;7.43,3.88,;8.92,4.28,;8.52,2.8,;6.34,4.97,;6.34,6.51,;4.88,6.99,;3.97,5.74,;2.43,5.74,;1.66,7.08,;.12,7.08,;-.78,8.32,;-2.25,7.85,;-2.25,6.31,;-3.58,5.54,;-3.58,4,;-2.25,3.23,;-2.25,1.69,;-3.58,.92,;-4.92,1.69,;-4.92,3.23,;-6.25,.92,;-7.58,1.69,;-6.25,-.62,;-7.58,-1.39,;-7.58,-2.93,;-6.25,-3.7,;-4.92,-2.93,;-4.92,-1.39,;-6.25,-5.24,;-7.58,-6.01,;-8.92,-5.24,;-7.58,-7.55,;-8.92,-8.32,;-.78,5.83,;4.88,4.5,)|
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n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM464085
PNG
(US10787436, Compound I-21)
Show SMILES CCc1cnc(Nc2cccc(NC(=O)c3ccc(NC(=O)\C=C\CN(C)C)cc3)c2)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C33H33N7O2/c1-4-22-20-35-33(39-31(22)28-21-34-29-12-6-5-11-27(28)29)38-26-10-7-9-25(19-26)37-32(42)23-14-16-24(17-15-23)36-30(41)13-8-18-40(2)3/h5-17,19-21,34H,4,18H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/b13-8+
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n/an/a 22.7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM519536
PNG
(US11142507, Compound MFH-3-110-1)
Show SMILES CC(C)(C)c1cnc(\C=C\c2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
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n/an/a 22.9n/an/an/an/an/an/a


TBA

Assay Description
Jurkat cells were treated with DMSO or concentration of compound indicated. 6 hours after treatment, cells were washed and harvested by resuspending ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM519528
PNG
(US11142507, Compound MFH-2-102-1)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC3CCCN(C3)C(=O)Oc3ccc(NC(=O)C=C)cc3)s2)o1
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n/an/a 24.6n/an/an/an/an/an/a


TBA

Assay Description
Jurkat cells were treated with DMSO or concentration of compound indicated. 6 hours after treatment, cells were washed and harvested by resuspending ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
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-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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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
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-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM464086
PNG
(US10787436, Compound I-22)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-20-10-13-23(37-31(42)21-11-14-22(15-12-21)36-29(41)9-6-16-40(2)3)17-28(20)38-32-35-19-26(33)30(39-32)25-18-34-27-8-5-4-7-24(25)27/h4-15,17-19,34H,16H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/b9-6+
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n/an/a 32.6n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM519553
PNG
(US11142507, Compound MFH-4-70-1)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|
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n/an/a 33n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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US Patent
n/an/a 33.5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 12


(Homo sapiens)		BDBM50573512
PNG
(CHEMBL4748005)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CDK12/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-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM464104
PNG
(US10787436, Compound I-42)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(c(n2)-c2c[nH]c3ccccc23)C(F)(F)F)c1
Show InChI InChI=1S/C32H28F3N7O2/c1-42(2)16-6-11-28(43)38-21-14-12-20(13-15-21)30(44)39-22-7-5-8-23(17-22)40-31-37-19-26(32(33,34)35)29(41-31)25-18-36-27-10-4-3-9-24(25)27/h3-15,17-19,36H,16H2,1-2H3,(H,38,43)(H,39,44)(H,37,40,41)/b11-6+
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n/an/a 35.7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM464105
PNG
(US10787436, Compound I-43)
Show SMILES CN(C)C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-40(2)16-6-11-29(41)35-18-21-12-14-22(15-13-21)31(42)37-23-7-5-8-24(17-23)38-32-36-20-27(33)30(39-32)26-19-34-28-10-4-3-9-25(26)28/h3-15,17,19-20,34H,16,18H2,1-2H3,(H,35,41)(H,37,42)(H,36,38,39)/b11-6+
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n/an/a 36.2n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM464088
PNG
(US10787436, Compound I-24)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)cc2)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H23ClN6O2/c1-3-26(37)33-19-12-9-18(10-13-19)28(38)34-20-11-8-17(2)25(14-20)35-29-32-16-23(30)27(36-29)22-15-31-24-7-5-4-6-21(22)24/h3-16,31H,1H2,2H3,(H,33,37)(H,34,38)(H,32,35,36)
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n/an/a 40n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ...

US Patent US10787436 (2020)


BindingDB Entry DOI: 10.7270/Q20G3P6J
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(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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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A (unknown origin)

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/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-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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n/an/a 50n/an/an/an/an/an/a


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 9


(Homo sapiens (Human))		BDBM519554
PNG
(US11142507, Compound MFH-4-73-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
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n/an/a 54.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
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-dependent kinase 9


(Homo sapiens (Human))		BDBM519551
PNG
(US11142507, Compound MFH-4-13-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
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n/an/a 65n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM519534
PNG
(US11142507, Compound MFH-3-103-1)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCC[C@H](C3)Oc3ccc(NC(=O)C=C)cc3)s2)o1 |r|
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n/an/a 66.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN486D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 12


(Homo sapiens)		BDBM50573513
PNG
(CHEMBL4866757)
Show SMILES C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
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n/an/a 68n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CDK12/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
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