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Patent code US10294218

Compile Data Set for Download or QSAR
Found 165 hits of Enzyme Inhibition Constant Data   
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 9 (CDK9)


(Homo sapiens (Human))		BDBM316211
PNG
(N-(3-((1H-benzo[d]imidazol-1-yl)methyl)-4-ethoxyph...)
Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Cn1cnc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c1-3-34-25-13-12-20(14-19(25)16-32-18-30-22-9-5-6-10-24(22)32)31-27-15-23(28-17-29-27)21-8-4-7-11-26(21)33-2/h4-15,17-18H,3,16H2,1-2H3,(H,28,29,31)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316227
PNG
(N-{2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-y...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC=O
Show InChI InChI=1S/C19H18N4O3/c1-25-17-6-4-3-5-14(17)15-10-19(21-11-20-15)23-13-7-8-18(26-2)16(9-13)22-12-24/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316293
PNG
(2-Methoxy-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1O
Show InChI InChI=1S/C18H17N3O3/c1-23-16-6-4-3-5-13(16)14-10-18(20-11-19-14)21-12-7-8-15(22)17(9-12)24-2/h3-11,22H,1-2H3,(H,19,20,21)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316301
PNG
(5-[6-(2-Ethoxy-phenyl)-pyrimidin-4- ylamino]-2-met...)
Show SMILES CCOc1ccccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H20N4O3/c1-3-27-18-7-5-4-6-14(18)16-11-19(23-12-22-16)24-13-8-9-17(26-2)15(10-13)20(21)25/h4-12H,3H2,1-2H3,(H2,21,25)(H,22,23,24)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316181
PNG
(N-(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-yla...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NS(C)(=O)=O
Show InChI InChI=1S/C19H20N4O4S/c1-26-17-7-5-4-6-14(17)15-11-19(21-12-20-15)22-13-8-9-18(27-2)16(10-13)23-28(3,24)25/h4-12,23H,1-3H3,(H,20,21,22)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316203
PNG
(N-(3-((1H-benzo[d]imidazol-1- yl)methyl)-4-methoxy...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Cn1cnc2ccccc12
Show InChI InChI=1S/C26H23N5O2/c1-32-24-12-11-19(13-18(24)15-31-17-29-21-8-4-5-9-23(21)31)30-26-14-22(27-16-28-26)20-7-3-6-10-25(20)33-2/h3-14,16-17H,15H2,1-2H3,(H,27,28,30)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316174
PNG
(N-(3-((1H-benzo[d]imidazol-1-yl)methyl)-4-(4-methy...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(Cn3cnc4ccccc34)c2)ncn1
Show InChI InChI=1S/C30H31N7O/c1-35-13-15-36(16-14-35)27-12-11-23(17-22(27)19-37-21-33-25-8-4-5-9-28(25)37)34-30-18-26(31-20-32-30)24-7-3-6-10-29(24)38-2/h3-12,17-18,20-21H,13-16,19H2,1-2H3,(H,31,32,34)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316182
PNG
((2-methoxy-5-(6-(2-methoxyphenyl) pyrimidin-4-ylam...)
Show SMILES CNS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
Show InChI InChI=1S/C19H21N5O4S/c1-20-29(25,26)24-16-10-13(8-9-18(16)28-3)23-19-11-15(21-12-22-19)14-6-4-5-7-17(14)27-2/h4-12,20,24H,1-3H3,(H,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316188
PNG
(N-(3-((1H-benzo[d]imidazol-1- yl)methyl)-4-chlorop...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(Cn3cnc4ccccc34)c2)ncn1
Show InChI InChI=1S/C25H20ClN5O/c1-32-24-9-5-2-6-19(24)22-13-25(28-15-27-22)30-18-10-11-20(26)17(12-18)14-31-16-29-21-7-3-4-8-23(21)31/h2-13,15-16H,14H2,1H3,(H,27,28,30)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316207
PNG
(N-(3-((dimethylamino)methyl)-4-methoxyphenyl)-6-(2...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN(C)C
Show InChI InChI=1S/C21H24N4O2/c1-25(2)13-15-11-16(9-10-19(15)26-3)24-21-12-18(22-14-23-21)17-7-5-6-8-20(17)27-4/h5-12,14H,13H2,1-4H3,(H,22,23,24)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM7585
PNG
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316176
PNG
(N-(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-yla...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNS(C)(=O)=O
Show InChI InChI=1S/C20H22N4O4S/c1-27-18-9-8-15(10-14(18)12-23-29(3,25)26)24-20-11-17(21-13-22-20)16-6-4-5-7-19(16)28-2/h4-11,13,23H,12H2,1-3H3,(H,21,22,24)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316189
PNG
((5-(6-(2-methoxyphenyl)pyrimidin-4-ylamino)-2-(4-m...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(CO)c2)ncn1
Show InChI InChI=1S/C23H27N5O2/c1-27-9-11-28(12-10-27)21-8-7-18(13-17(21)15-29)26-23-14-20(24-16-25-23)19-5-3-4-6-22(19)30-2/h3-8,13-14,16,29H,9-12,15H2,1-2H3,(H,24,25,26)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316202
PNG
(US10294218, Example 30 | US9617225, Example 30 | m...)
Show SMILES COC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
Show InChI InChI=1S/C20H19N3O4/c1-25-17-7-5-4-6-14(17)16-11-19(22-12-21-16)23-13-8-9-18(26-2)15(10-13)20(24)27-3/h4-12H,1-3H3,(H,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316205
PNG
(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamin...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NN
Show InChI InChI=1S/C19H19N5O3/c1-26-16-6-4-3-5-13(16)15-10-18(22-11-21-15)23-12-7-8-17(27-2)14(9-12)19(25)24-20/h3-11H,20H2,1-2H3,(H,24,25)(H,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316209
PNG
(N-(4-methoxy-3-((methylamino)methyl)phenyl)-6-(2-m...)
Show SMILES CNCc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
Show InChI InChI=1S/C20H22N4O2/c1-21-12-14-10-15(8-9-18(14)25-2)24-20-11-17(22-13-23-20)16-6-4-5-7-19(16)26-3/h4-11,13,21H,12H2,1-3H3,(H,22,23,24)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316210
PNG
(5-(6-(2-methoxyphenyl)pyrimidin-4-ylamino)-2-(4-me...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(c2)S(N)(=O)=O)ncn1
Show InChI InChI=1S/C22H26N6O3S/c1-27-9-11-28(12-10-27)19-8-7-16(13-21(19)32(23,29)30)26-22-14-18(24-15-25-22)17-5-3-4-6-20(17)31-2/h3-8,13-15H,9-12H2,1-2H3,(H2,23,29,30)(H,24,25,26)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316285
PNG
(2-Dimethylamino-5-[6-(4-fluoro-2-methoxy-phenyl)-p...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2ccc(N(C)C)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H20FN5O2/c1-26(2)17-7-5-13(9-15(17)20(22)27)25-19-10-16(23-11-24-19)14-6-4-12(21)8-18(14)28-3/h4-11H,1-3H3,(H2,22,27)(H,23,24,25)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316204
PNG
(2-methoxy-5-(6-(2- methoxyphenyl)pyrimidin-4- ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1O
Show InChI InChI=1S/C18H17N3O3/c1-23-16-6-4-3-5-13(16)14-10-18(20-11-19-14)21-12-7-8-17(24-2)15(22)9-12/h3-11,22H,1-2H3,(H,19,20,21)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316212
PNG
(N-(3-((1H-benzo[d]imidazol-1-yl)methyl)-4-fluoroph...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(Cn3cnc4ccccc34)c2)ncn1
Show InChI InChI=1S/C25H20FN5O/c1-32-24-9-5-2-6-19(24)22-13-25(28-15-27-22)30-18-10-11-20(26)17(12-18)14-31-16-29-21-7-3-4-8-23(21)31/h2-13,15-16H,14H2,1H3,(H,27,28,30)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316288
PNG
(US10294218, Example 116 | US9617225, Example 116 |...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(OC)c(c2)C2=CCNCC2)ncn1
Show InChI InChI=1S/C23H24N4O2/c1-28-21-6-4-3-5-18(21)20-14-23(26-15-25-20)27-17-7-8-22(29-2)19(13-17)16-9-11-24-12-10-16/h3-9,13-15,24H,10-12H2,1-2H3,(H,25,26,27)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316179
PNG
(2-chloro-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamino...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(=O)NN)ncn1
Show InChI InChI=1S/C18H16ClN5O2/c1-26-16-5-3-2-4-12(16)15-9-17(22-10-21-15)23-11-6-7-14(19)13(8-11)18(25)24-20/h2-10H,20H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316302
PNG
(5-[6-(2-Ethoxy-4-fluoro-phenyl)- pyrimidin-4-ylami...)
Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H19FN4O3/c1-3-28-18-8-12(21)4-6-14(18)16-10-19(24-11-23-16)25-13-5-7-17(27-2)15(9-13)20(22)26/h4-11H,3H2,1-2H3,(H2,22,26)(H,23,24,25)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316217
PNG
(2-methoxy-5-(6-(2- methoxyphenyl)pyrimidin-4- ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(N)=O
Show InChI InChI=1S/C19H18N4O3/c1-25-16-6-4-3-5-13(16)15-10-18(22-11-21-15)23-12-7-8-17(26-2)14(9-12)19(20)24/h3-11H,1-2H3,(H2,20,24)(H,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316175
PNG
(2-(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-yla...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C27H22N4O4/c1-34-23-12-11-18(13-17(23)15-31-26(32)19-7-3-4-8-20(19)27(31)33)30-25-14-22(28-16-29-25)21-9-5-6-10-24(21)35-2/h3-14,16H,15H2,1-2H3,(H,28,29,30)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316193
PNG
(US10294218, Example 21 | US9617225, Example 21 | m...)
Show SMILES COC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1O
Show InChI InChI=1S/C19H17N3O4/c1-25-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-16(23)14(9-12)19(24)26-2/h3-11,23H,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316194
PNG
(N-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyphenyl)py...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1F
Show InChI InChI=1S/C18H16FN3O2/c1-23-16-6-4-3-5-13(16)15-10-18(21-11-20-15)22-12-7-8-17(24-2)14(19)9-12/h3-11H,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316200
PNG
(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamin...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C25H23N5O3/c1-32-22-6-4-3-5-19(22)21-14-24(29-16-28-21)30-18-7-8-23(33-2)20(13-18)25(31)27-15-17-9-11-26-12-10-17/h3-14,16H,15H2,1-2H3,(H,27,31)(H,28,29,30)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316213
PNG
(4-methoxy-N1-(6-(2- methoxyphenyl)pyrimidin-4-yl) ...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1N
Show InChI InChI=1S/C18H18N4O2/c1-23-16-6-4-3-5-13(16)15-10-18(21-11-20-15)22-12-7-8-17(24-2)14(19)9-12/h3-11H,19H2,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316222
PNG
(N-{2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-y...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(C)=O
Show InChI InChI=1S/C20H20N4O3/c1-13(25)23-17-10-14(8-9-19(17)27-3)24-20-11-16(21-12-22-20)15-6-4-5-7-18(15)26-2/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316223
PNG
(US10294218, Example 51 | US9617225, Example 51 | {...)
Show SMILES COC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
Show InChI InChI=1S/C20H20N4O4/c1-26-17-7-5-4-6-14(17)15-11-19(22-12-21-15)23-13-8-9-18(27-2)16(10-13)24-20(25)28-3/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316245
PNG
(N1-[6-(2-Ethoxy-4-fluoro-phenyl)- pyrimidin-4-yl]-...)
Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(N)c2)ncn1
Show InChI InChI=1S/C19H19FN4O2/c1-3-26-18-8-12(20)4-6-14(18)16-10-19(23-11-22-16)24-13-5-7-17(25-2)15(21)9-13/h4-11H,3,21H2,1-2H3,(H,22,23,24)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316251
PNG
(N1-[6-(2-Isopropoxy-phenyl)-pyrimidin- 4-yl]-4-met...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC(C)C)cc1N
Show InChI InChI=1S/C20H22N4O2/c1-13(2)26-18-7-5-4-6-15(18)17-11-20(23-12-22-17)24-14-8-9-19(25-3)16(21)10-14/h4-13H,21H2,1-3H3,(H,22,23,24)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316260
PNG
(5-Fluoro-4-methoxy-N1-[6-(2-methoxy-phenyl)-pyrimi...)
Show SMILES COc1ccccc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
Show InChI InChI=1S/C18H17FN4O2/c1-24-16-6-4-3-5-12(16)15-9-17(22-10-21-15)23-11-7-13(19)18(25-2)14(20)8-11/h3-10H,20H2,1-2H3,(H,21,22,23)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316261
PNG
(N1-[6-(2-Ethoxy-4-fluoro-phenyl)-pyrimidin-4-yl]-5...)
Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
Show InChI InChI=1S/C19H18F2N4O2/c1-3-27-17-6-11(20)4-5-13(17)16-9-18(24-10-23-16)25-12-7-14(21)19(26-2)15(22)8-12/h4-10H,3,22H2,1-2H3,(H,23,24,25)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316190
PNG
(US10294218, Example 18 | US9617225, Example 18 | e...)
Show SMILES CCOC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1N1CCOCC1
Show InChI InChI=1S/C24H26N4O4/c1-3-32-24(29)19-14-17(8-9-21(19)28-10-12-31-13-11-28)27-23-15-20(25-16-26-23)18-6-4-5-7-22(18)30-2/h4-9,14-16H,3,10-13H2,1-2H3,(H,25,26,27)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316197
PNG
(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamin...)
Show SMILES CNC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
Show InChI InChI=1S/C20H20N4O3/c1-21-20(25)15-10-13(8-9-18(15)27-3)24-19-11-16(22-12-23-19)14-6-4-5-7-17(14)26-2/h4-12H,1-3H3,(H,21,25)(H,22,23,24)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316214
PNG
(2-((1H-benzo[d]imidazol-1-yl(methyl)-N4-(6-(2-meth...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(Cn3cnc4ccccc34)c2)ncn1
Show InChI InChI=1S/C27H26N6O/c1-32(2)24-13-12-20(14-19(24)16-33-18-30-22-9-5-6-10-25(22)33)31-27-15-23(28-17-29-27)21-8-4-7-11-26(21)34-3/h4-15,17-18H,16H2,1-3H3,(H,28,29,31)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316221
PNG
(2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(O)=O
Show InChI InChI=1S/C19H17N3O4/c1-25-16-6-4-3-5-13(16)15-10-18(21-11-20-15)22-12-7-8-17(26-2)14(9-12)19(23)24/h3-11H,1-2H3,(H,23,24)(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316235
PNG
(US10294218, Example 63 | US9617225, Example 63 | [...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H15FN4O4/c1-26-16-6-4-12(8-15(16)23(24)25)22-18-9-14(20-10-21-18)13-5-3-11(19)7-17(13)27-2/h3-10H,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316255
PNG
(N1-[6-(4,5-Difluoro-2-methoxy-phenyl)- pyrimidin-4...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2cc(F)c(F)cc2OC)cc1N
Show InChI InChI=1S/C18H16F2N4O2/c1-25-16-4-3-10(5-14(16)21)24-18-8-15(22-9-23-18)11-6-12(19)13(20)7-17(11)26-2/h3-9H,21H2,1-2H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316270
PNG
(US10294218, Example 98 | US9617225, Example 98 | {...)
Show SMILES COC(=O)N(C)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
Show InChI InChI=1S/C21H22N4O4/c1-25(21(26)29-4)17-11-14(9-10-19(17)28-3)24-20-12-16(22-13-23-20)15-7-5-6-8-18(15)27-2/h5-13H,1-4H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316271
PNG
(4-Methoxy-N1-[6-(2-methoxy-phenyl)-pyrimidin-4-yl]...)
Show SMILES CNc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
Show InChI InChI=1S/C19H20N4O2/c1-20-16-10-13(8-9-18(16)25-3)23-19-11-15(21-12-22-19)14-6-4-5-7-17(14)24-2/h4-12,20H,1-3H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316275
PNG
((4-Ethoxy-3-nitro-phenyl)-[6-(4-fluoro-2-methoxy-p...)
Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1[N+]([O-])=O
Show InChI InChI=1S/C19H17FN4O4/c1-3-28-17-7-5-13(9-16(17)24(25)26)23-19-10-15(21-11-22-19)14-6-4-12(20)8-18(14)27-2/h4-11H,3H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316276
PNG
(4-Fluoro-N1-[6-(4-fluoro-2-methoxy-phenyl)-pyrimid...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2ccc(F)c(N)c2)ncn1
Show InChI InChI=1S/C17H14F2N4O/c1-24-16-6-10(18)2-4-12(16)15-8-17(22-9-21-15)23-11-3-5-13(19)14(20)7-11/h2-9H,20H2,1H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316282
PNG
(2-Ethoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-ylami...)
Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1O
Show InChI InChI=1S/C19H19N3O3/c1-3-25-18-9-8-13(10-16(18)23)22-19-11-15(20-12-21-19)14-6-4-5-7-17(14)24-2/h4-12,23H,3H2,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316289
PNG
(N-{5-[6-(4-Fluoro-2-methoxy-phenyl)-pyrimidin-4-yl...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1NC(C)=O
Show InChI InChI=1S/C20H19FN4O3/c1-12(26)24-17-9-14(5-7-18(17)27-2)25-20-10-16(22-11-23-20)15-6-4-13(21)8-19(15)28-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316294
PNG
(5-[6-(5-Fluoro-2-methoxy-phenyl)-pyrimidin-4-ylami...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2cc(F)ccc2OC)cc1O
Show InChI InChI=1S/C18H16FN3O3/c1-24-16-5-3-11(19)7-13(16)14-9-18(21-10-20-14)22-12-4-6-17(25-2)15(23)8-12/h3-10,23H,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316298
PNG
(Acetic acid 5-[6-(4-fluoro-2-methoxy-phenyl)-pyrim...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1OC(C)=O
Show InChI InChI=1S/C20H18FN3O4/c1-12(25)28-19-9-14(5-7-17(19)26-2)24-20-10-16(22-11-23-20)15-6-4-13(21)8-18(15)27-3/h4-11H,1-3H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316306
PNG
(2-Methoxy-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES CNC(=O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC
Show InChI InChI=1S/C20H20N4O3/c1-21-20(25)15-9-8-13(10-18(15)27-3)24-19-11-16(22-12-23-19)14-6-4-5-7-17(14)26-2/h4-12H,1-3H3,(H,21,25)(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316314
PNG
(5-[6-(2-Ethoxy-5-fluoro-phenyl)- pyrimidin-4-ylami...)
Show SMILES CCOc1ccc(F)cc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H18F2N4O3/c1-3-29-17-5-4-11(21)6-13(17)16-9-18(25-10-24-16)26-12-7-14(20(23)27)19(28-2)15(22)8-12/h4-10H,3H2,1-2H3,(H2,23,27)(H,24,25,26)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316175
PNG
(2-(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-yla...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C27H22N4O4/c1-34-23-12-11-18(13-17(23)15-31-26(32)19-7-3-4-8-20(19)27(31)33)30-25-14-22(28-16-29-25)21-9-5-6-10-24(21)35-2/h3-14,16H,15H2,1-2H3,(H,28,29,30)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316218
PNG
(2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)N(C)N
Show InChI InChI=1S/C20H21N5O3/c1-25(21)20(26)15-10-13(8-9-18(15)28-3)24-19-11-16(22-12-23-19)14-6-4-5-7-17(14)27-2/h4-12H,21H2,1-3H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316306
PNG
(2-Methoxy-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES CNC(=O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC
Show InChI InChI=1S/C20H20N4O3/c1-21-20(25)15-9-8-13(10-18(15)27-3)24-19-11-16(22-12-23-19)14-6-4-5-7-17(14)26-2/h4-12H,1-3H3,(H,21,25)(H,22,23,24)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316177
PNG
(N1-(6-(2-methoxyphenyl)pyrimidin-4-yl)- N4,N4-dime...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(cc2)N(C)C)ncn1
Show InChI InChI=1S/C19H20N4O/c1-23(2)15-10-8-14(9-11-15)22-19-12-17(20-13-21-19)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3,(H,20,21,22)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316216
PNG
(2-chloro-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamino...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C18H15ClN4O2/c1-25-16-5-3-2-4-12(16)15-9-17(22-10-21-15)23-11-6-7-14(19)13(8-11)18(20)24/h2-10H,1H3,(H2,20,24)(H,21,22,23)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316232
PNG
(N-{2-Methoxy-4-[6-(2-methoxy-phenyl)-pyrimidin-4-y...)
Show SMILES COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C19H20N4O4S/c1-26-17-7-5-4-6-14(17)16-11-19(21-12-20-16)22-13-8-9-15(18(10-13)27-2)23-28(3,24)25/h4-12,23H,1-3H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316258
PNG
(N1-[6-(4-Fluoro-2-isopropoxy-phenyl)-pyrimidin-4-y...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC(C)C)cc1N
Show InChI InChI=1S/C20H21FN4O2/c1-12(2)27-19-8-13(21)4-6-15(19)17-10-20(24-11-23-17)25-14-5-7-18(26-3)16(22)9-14/h4-12H,22H2,1-3H3,(H,23,24,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316263
PNG
(5-Fluoro-N1-[6-(5-fluoro-2-methoxy-phenyl)-pyrimid...)
Show SMILES COc1ccc(F)cc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
Show InChI InChI=1S/C18H16F2N4O2/c1-25-16-4-3-10(19)5-12(16)15-8-17(23-9-22-15)24-11-6-13(20)18(26-2)14(21)7-11/h3-9H,21H2,1-2H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316284
PNG
(2-Ethoxy-5-[6-(4-fluoro-2-methoxy- phenyl)-pyrimid...)
Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1C(N)=O
Show InChI InChI=1S/C20H19FN4O3/c1-3-28-17-7-5-13(9-15(17)20(22)26)25-19-10-16(23-11-24-19)14-6-4-12(21)8-18(14)27-2/h4-11H,3H2,1-2H3,(H2,22,26)(H,23,24,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316286
PNG
(2-Ethoxy-5-[6-(4-fluoro-2-methoxy-phenyl)-pyrimidi...)
Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1O
Show InChI InChI=1S/C19H18FN3O3/c1-3-26-17-7-5-13(9-16(17)24)23-19-10-15(21-11-22-19)14-6-4-12(20)8-18(14)25-2/h4-11,24H,3H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316290
PNG
(US10294218, Example 118 | US9617225, Example 118 |...)
Show SMILES COC(=O)Nc1cc(Nc2cc(ncn2)-c2ccc(F)cc2OC)ccc1OC
Show InChI InChI=1S/C20H19FN4O4/c1-27-17-7-5-13(9-16(17)25-20(26)29-3)24-19-10-15(22-11-23-19)14-6-4-12(21)8-18(14)28-2/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316296
PNG
(5-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-2-meth...)
Show SMILES CCOc1ccccc1-c1cc(Nc2ccc(OC)c(O)c2)ncn1
Show InChI InChI=1S/C19H19N3O3/c1-3-25-17-7-5-4-6-14(17)15-11-19(21-12-20-15)22-13-8-9-18(24-2)16(23)10-13/h4-12,23H,3H2,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316297
PNG
(Carbonic acid 5-[6-(4-fluoro-2-methoxy-phenyl)-pyr...)
Show SMILES COC(=O)Oc1cc(Nc2cc(ncn2)-c2ccc(F)cc2OC)ccc1OC
Show InChI InChI=1S/C20H18FN3O5/c1-26-16-7-5-13(9-18(16)29-20(25)28-3)24-19-10-15(22-11-23-19)14-6-4-12(21)8-17(14)27-2/h4-11H,1-3H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316299
PNG
(5-[6-(5-Fluoro-2-methoxy-phenyl)- pyrimidin-4-ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2cc(F)ccc2OC)cc1C(N)=O
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-5-3-11(20)7-13(16)15-9-18(23-10-22-15)24-12-4-6-17(27-2)14(8-12)19(21)25/h3-10H,1-2H3,(H2,21,25)(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316303
PNG
(5-[6-(2-Ethoxy-5-fluoro-phenyl)- pyrimidin-4-ylami...)
Show SMILES CCOc1ccc(F)cc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H19FN4O3/c1-3-28-18-6-4-12(21)8-14(18)16-10-19(24-11-23-16)25-13-5-7-17(27-2)15(9-13)20(22)26/h4-11H,3H2,1-2H3,(H2,22,26)(H,23,24,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316236
PNG
(N1-[6-(4-Fluoro-2-methoxy-phenyl)- pyrimidin-4-yl]...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1N
Show InChI InChI=1S/C18H17FN4O2/c1-24-16-6-4-12(8-14(16)20)23-18-9-15(21-10-22-18)13-5-3-11(19)7-17(13)25-2/h3-10H,20H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316290
PNG
(US10294218, Example 118 | US9617225, Example 118 |...)
Show SMILES COC(=O)Nc1cc(Nc2cc(ncn2)-c2ccc(F)cc2OC)ccc1OC
Show InChI InChI=1S/C20H19FN4O4/c1-27-17-7-5-13(9-16(17)25-20(26)29-3)24-19-10-15(22-11-23-19)14-6-4-12(21)8-18(14)28-2/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316185
PNG
((2-methoxy-5-(6-(2-methoxyphenyl) pyrimidin-4-ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NS(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C24H29N5O4S/c1-32-22-11-7-6-10-19(22)20-15-24(26-16-25-20)27-18-12-13-23(33-2)21(14-18)29-34(30,31)28-17-8-4-3-5-9-17/h6-7,10-17,28-29H,3-5,8-9H2,1-2H3,(H,25,26,27)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316186
PNG
(US10294218, Example 14 | US9617225, Example 14 | e...)
Show SMILES CCOC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1Cl
Show InChI InChI=1S/C20H18ClN3O3/c1-3-27-20(25)15-10-13(8-9-16(15)21)24-19-11-17(22-12-23-19)14-6-4-5-7-18(14)26-2/h4-12H,3H2,1-2H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316191
PNG
((5-(6-(2-methoxyphenyl)pyrimidin-4-ylamino)-2-morp...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(N3CCOCC3)c(CO)c2)ncn1
Show InChI InChI=1S/C22H24N4O3/c1-28-21-5-3-2-4-18(21)19-13-22(24-15-23-19)25-17-6-7-20(16(12-17)14-27)26-8-10-29-11-9-26/h2-7,12-13,15,27H,8-11,14H2,1H3,(H,23,24,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316196
PNG
((2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-ylami...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CO
Show InChI InChI=1S/C19H19N3O3/c1-24-17-8-7-14(9-13(17)11-23)22-19-10-16(20-12-21-19)15-5-3-4-6-18(15)25-2/h3-10,12,23H,11H2,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316201
PNG
(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamin...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C=O
Show InChI InChI=1S/C19H17N3O3/c1-24-17-8-7-14(9-13(17)11-23)22-19-10-16(20-12-21-19)15-5-3-4-6-18(15)25-2/h3-12H,1-2H3,(H,20,21,22)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316228
PNG
(US10294218, Example 56 | US9617225, Example 56 | {...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(N)=O
Show InChI InChI=1S/C19H19N5O3/c1-26-16-6-4-3-5-13(16)14-10-18(22-11-21-14)23-12-7-8-17(27-2)15(9-12)24-19(20)25/h3-11H,1-2H3,(H3,20,24,25)(H,21,22,23)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316233
PNG
(US10294218, Example 61 | US9617225, Example 61 | [...)
Show SMILES CCOc1ccccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C19H18N4O4/c1-3-27-17-7-5-4-6-14(17)15-11-19(21-12-20-15)22-13-8-9-18(26-2)16(10-13)23(24)25/h4-12H,3H2,1-2H3,(H,20,21,22)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316247
PNG
(N1-[6-(5-Fluoro-2-methoxy-phenyl)- pyrimidin-4-yl]...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2cc(F)ccc2OC)cc1N
Show InChI InChI=1S/C18H17FN4O2/c1-24-16-5-3-11(19)7-13(16)15-9-18(22-10-21-15)23-12-4-6-17(25-2)14(20)8-12/h3-10H,20H2,1-2H3,(H,21,22,23)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316278
PNG
(2-Fluoro-N4-[6-(2-methoxy-phenyl)-pyrimidin-4-yl]-...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(F)c2)ncn1
Show InChI InChI=1S/C19H19FN4O/c1-24(2)17-9-8-13(10-15(17)20)23-19-11-16(21-12-22-19)14-6-4-5-7-18(14)25-3/h4-12H,1-3H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316283
PNG
(2-Ethoxy-5-[6-(2-methoxy-phenyl)- pyrimidin-4-ylam...)
Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(N)=O
Show InChI InChI=1S/C20H20N4O3/c1-3-27-18-9-8-13(10-15(18)20(21)25)24-19-11-16(22-12-23-19)14-6-4-5-7-17(14)26-2/h4-12H,3H2,1-2H3,(H2,21,25)(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316315
PNG
(4-Fluoro-2-methoxy-5-[6-(2-methoxy- phenyl)-pyrimi...)
Show SMILES COc1ccccc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-6-4-3-5-11(16)14-9-18(23-10-22-14)24-15-7-12(19(21)25)17(27-2)8-13(15)20/h3-10H,1-2H3,(H2,21,25)(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316214
PNG
(2-((1H-benzo[d]imidazol-1-yl(methyl)-N4-(6-(2-meth...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(Cn3cnc4ccccc34)c2)ncn1
Show InChI InChI=1S/C27H26N6O/c1-32(2)24-13-12-20(14-19(24)16-33-18-30-22-9-5-6-10-25(22)33)31-27-15-23(28-17-29-27)21-8-4-7-11-26(21)34-3/h4-15,17-18H,16H2,1-3H3,(H,28,29,31)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316304
PNG
(2-Chloro-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylami...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(C(N)=O)c(Cl)c2)ncn1
Show InChI InChI=1S/C18H15ClN4O2/c1-25-16-5-3-2-4-13(16)15-9-17(22-10-21-15)23-11-6-7-12(18(20)24)14(19)8-11/h2-10H,1H3,(H2,20,24)(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316308
PNG
(2-Methoxy-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(C(N)=O)c(OC)c2)ncn1
Show InChI InChI=1S/C19H18N4O3/c1-25-16-6-4-3-5-13(16)15-10-18(22-11-21-15)23-12-7-8-14(19(20)24)17(9-12)26-2/h3-11H,1-2H3,(H2,20,24)(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316172
PNG
(N-(3-((benzylamino)methyl)-4-methoxyphenyl)-6-(2-m...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNCc1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-31-24-13-12-21(14-20(24)17-27-16-19-8-4-3-5-9-19)30-26-15-23(28-18-29-26)22-10-6-7-11-25(22)32-2/h3-15,18,27H,16-17H2,1-2H3,(H,28,29,30)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316183
PNG
(N-(4-methoxy-3-nitrophenyl)-6-(2-methoxyphenyl)pyr...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C18H16N4O4/c1-25-16-6-4-3-5-13(16)14-10-18(20-11-19-14)21-12-7-8-17(26-2)15(9-12)22(23)24/h3-11H,1-2H3,(H,19,20,21)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316256
PNG
(N-{5-[6-(4,5-Difluoro-2-methoxy-phenyl)-pyrimidin-...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2cc(F)c(F)cc2OC)cc1NC=O
Show InChI InChI=1S/C19H16F2N4O3/c1-27-17-4-3-11(5-16(17)24-10-26)25-19-8-15(22-9-23-19)12-6-13(20)14(21)7-18(12)28-2/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316266
PNG
(Dimethyl-carbamic acid 2-methoxy-5-[6-(2-methoxy-p...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC(=O)N(C)C
Show InChI InChI=1S/C21H22N4O4/c1-25(2)21(26)29-19-11-14(9-10-18(19)28-4)24-20-12-16(22-13-23-20)15-7-5-6-8-17(15)27-3/h5-13H,1-4H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316273
PNG
(4-Ethoxy-N1-[6-(2-methoxy-phenyl)-pyrimidin-4-yl]-...)
Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1N
Show InChI InChI=1S/C19H20N4O2/c1-3-25-18-9-8-13(10-15(18)20)23-19-11-16(21-12-22-19)14-6-4-5-7-17(14)24-2/h4-12H,3,20H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316277
PNG
(4-Ethoxy-N1-[6-(4-fluoro-2-methoxy-phenyl)-pyrimid...)
Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1N
Show InChI InChI=1S/C19H19FN4O2/c1-3-26-17-7-5-13(9-15(17)21)24-19-10-16(22-11-23-19)14-6-4-12(20)8-18(14)25-2/h4-11H,3,21H2,1-2H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316295
PNG
(5-[6-(4-Fluoro-2-methoxy-phenyl)- pyrimidin-4-ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1O
Show InChI InChI=1S/C18H16FN3O3/c1-24-16-6-4-12(8-15(16)23)22-18-9-14(20-10-21-18)13-5-3-11(19)7-17(13)25-2/h3-10,23H,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316305
PNG
(2-Methoxy-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COC(=O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC
Show InChI InChI=1S/C20H19N3O4/c1-25-17-7-5-4-6-14(17)16-11-19(22-12-21-16)23-13-8-9-15(20(24)27-3)18(10-13)26-2/h4-12H,1-3H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316316
PNG
(4-Fluoro-5-[6-(5-fluoro-2-methoxy- phenyl)-pyrimid...)
Show SMILES COc1ccc(F)cc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
Show InChI InChI=1S/C19H16F2N4O3/c1-27-16-4-3-10(20)5-11(16)14-8-18(24-9-23-14)25-15-6-12(19(22)26)17(28-2)7-13(15)21/h3-9H,1-2H3,(H2,22,26)(H,23,24,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316221
PNG
(2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(O)=O
Show InChI InChI=1S/C19H17N3O4/c1-25-16-6-4-3-5-13(16)15-10-18(21-11-20-15)22-12-7-8-17(26-2)14(9-12)19(23)24/h3-11H,1-2H3,(H,23,24)(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316243
PNG
(N1-[6-(2-Benzyloxy-phenyl)-pyrimidin-4-yl]-4-metho...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)cc1N
Show InChI InChI=1S/C24H22N4O2/c1-29-23-12-11-18(13-20(23)25)28-24-14-21(26-16-27-24)19-9-5-6-10-22(19)30-15-17-7-3-2-4-8-17/h2-14,16H,15,25H2,1H3,(H,26,27,28)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316231
PNG
(2-Methoxy-N4-[6-(2-methoxy-phenyl)-pyrimidin-4-yl]...)
Show SMILES COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1N
Show InChI InChI=1S/C18H18N4O2/c1-23-16-6-4-3-5-13(16)15-10-18(21-11-20-15)22-12-7-8-14(19)17(9-12)24-2/h3-11H,19H2,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316244
PNG
(US10294218, Example 72 | US9617225, Example 72 | [...)
Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C19H17FN4O4/c1-3-28-18-8-12(20)4-6-14(18)15-10-19(22-11-21-15)23-13-5-7-17(27-2)16(9-13)24(25)26/h4-11H,3H2,1-2H3,(H,21,22,23)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316257
PNG
(US10294218, Example 85 | US9617225, Example 85 | [...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC(C)C)cc1[N+]([O-])=O
Show InChI InChI=1S/C20H19FN4O4/c1-12(2)29-19-8-13(21)4-6-15(19)16-10-20(23-11-22-16)24-14-5-7-18(28-3)17(9-14)25(26)27/h4-12H,1-3H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316265
PNG
(Acetic acid 2-methoxy-5-[6-(2-methoxy-phenyl)-pyri...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC(C)=O
Show InChI InChI=1S/C20H19N3O4/c1-13(24)27-19-10-14(8-9-18(19)26-3)23-20-11-16(21-12-22-20)15-6-4-5-7-17(15)25-2/h4-12H,1-3H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316267
PNG
(Carbonic acid 2-methoxy-5-[6-(2-methoxy-phenyl)-py...)
Show SMILES COC(=O)Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
Show InChI InChI=1S/C20H19N3O5/c1-25-16-7-5-4-6-14(16)15-11-19(22-12-21-15)23-13-8-9-17(26-2)18(10-13)28-20(24)27-3/h4-12H,1-3H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316281
PNG
(2-Dimethylamino-5-[6-(2-methoxy-phenyl)-pyrimidin-...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H21N5O2/c1-25(2)17-9-8-13(10-15(17)20(21)26)24-19-11-16(22-12-23-19)14-6-4-5-7-18(14)27-3/h4-12H,1-3H3,(H2,21,26)(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316307
PNG
(N-(2-Hydroxy-ethyl)-2-methoxy-4-[6-(2-methoxy-phen...)
Show SMILES COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C(=O)NCCO
Show InChI InChI=1S/C21H22N4O4/c1-28-18-6-4-3-5-15(18)17-12-20(24-13-23-17)25-14-7-8-16(19(11-14)29-2)21(27)22-9-10-26/h3-8,11-13,26H,9-10H2,1-2H3,(H,22,27)(H,23,24,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316308
PNG
(2-Methoxy-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(C(N)=O)c(OC)c2)ncn1
Show InChI InChI=1S/C19H18N4O3/c1-25-16-6-4-3-5-13(16)15-10-18(22-11-21-15)23-12-7-8-14(19(20)24)17(9-12)26-2/h3-11H,1-2H3,(H2,20,24)(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316317
PNG
(5-[6-(2-Ethoxy-phenyl)-pyrimidin-4- ylamino]-4-flu...)
Show SMILES CCOc1ccccc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
Show InChI InChI=1S/C20H19FN4O3/c1-3-28-17-7-5-4-6-12(17)15-10-19(24-11-23-15)25-16-8-13(20(22)26)18(27-2)9-14(16)21/h4-11H,3H2,1-2H3,(H2,22,26)(H,23,24,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316318
PNG
(4-Fluoro-5-[6-(4-fluoro-2-methoxy- phenyl)-pyrimid...)
Show SMILES COc1cc(F)c(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1C(N)=O
Show InChI InChI=1S/C19H16F2N4O3/c1-27-16-5-10(20)3-4-11(16)14-8-18(24-9-23-14)25-15-6-12(19(22)26)17(28-2)7-13(15)21/h3-9H,1-2H3,(H2,22,26)(H,23,24,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316215
PNG
(N-(3-(aminomethyl)-4- methoxyphenyl)-6-(2- methoxy...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN
Show InChI InChI=1S/C19H20N4O2/c1-24-17-8-7-14(9-13(17)11-20)23-19-10-16(21-12-22-19)15-5-3-4-6-18(15)25-2/h3-10,12H,11,20H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316180
PNG
(N-(4-methoxy-3-(2-morpholinoethoxy)phenyl)-6-(2-me...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OCCN1CCOCC1
Show InChI InChI=1S/C24H28N4O4/c1-29-21-6-4-3-5-19(21)20-16-24(26-17-25-20)27-18-7-8-22(30-2)23(15-18)32-14-11-28-9-12-31-13-10-28/h3-8,15-17H,9-14H2,1-2H3,(H,25,26,27)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316187
PNG
((2-chloro-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamin...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(=O)N2CCCC2)ncn1
Show InChI InChI=1S/C22H21ClN4O2/c1-29-20-7-3-2-6-16(20)19-13-21(25-14-24-19)26-15-8-9-18(23)17(12-15)22(28)27-10-4-5-11-27/h2-3,6-9,12-14H,4-5,10-11H2,1H3,(H,24,25,26)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316219
PNG
(2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C27H34N6O3/c1-32-13-15-33(16-14-32)12-6-11-28-27(34)22-17-20(9-10-25(22)36-3)31-26-18-23(29-19-30-26)21-7-4-5-8-24(21)35-2/h4-5,7-10,17-19H,6,11-16H2,1-3H3,(H,28,34)(H,29,30,31)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316220
PNG
(N-(2-Hydroxy-ethyl)-2-methoxy-5-[6-(2-methoxy-phen...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCCO
Show InChI InChI=1S/C21H22N4O4/c1-28-18-6-4-3-5-15(18)17-12-20(24-13-23-17)25-14-7-8-19(29-2)16(11-14)21(27)22-9-10-26/h3-8,11-13,26H,9-10H2,1-2H3,(H,22,27)(H,23,24,25)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316225
PNG
(N-{2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-y...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(=O)C(C)(C)C
Show InChI InChI=1S/C23H26N4O3/c1-23(2,3)22(28)27-18-12-15(10-11-20(18)30-5)26-21-13-17(24-14-25-21)16-8-6-7-9-19(16)29-4/h6-14H,1-5H3,(H,27,28)(H,24,25,26)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316234
PNG
(N1-[6-(2-Ethoxy-phenyl)-pyrimidin- 4-yl]-4-methoxy...)
Show SMILES CCOc1ccccc1-c1cc(Nc2ccc(OC)c(N)c2)ncn1
Show InChI InChI=1S/C19H20N4O2/c1-3-25-17-7-5-4-6-14(17)16-11-19(22-12-21-16)23-13-8-9-18(24-2)15(20)10-13/h4-12H,3,20H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316236
PNG
(N1-[6-(4-Fluoro-2-methoxy-phenyl)- pyrimidin-4-yl]...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1N
Show InChI InChI=1S/C18H17FN4O2/c1-24-16-6-4-12(8-14(16)20)23-18-9-15(21-10-22-18)13-5-3-11(19)7-17(13)25-2/h3-10H,20H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316291
PNG
(US10294218, Example 119 | US9617225, Example 119 |...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1NC(N)=O
Show InChI InChI=1S/C19H18FN5O3/c1-27-16-6-4-12(8-15(16)25-19(21)26)24-18-9-14(22-10-23-18)13-5-3-11(20)7-17(13)28-2/h3-10H,1-2H3,(H3,21,25,26)(H,22,23,24)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316313
PNG
(5-[6-(2-Ethoxy-phenyl)-pyrimidin-4- ylamino]-3-flu...)
Show SMILES CCOc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H19FN4O3/c1-3-28-17-7-5-4-6-13(17)16-10-18(24-11-23-16)25-12-8-14(20(22)26)19(27-2)15(21)9-12/h4-11H,3H2,1-2H3,(H2,22,26)(H,23,24,25)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316184
PNG
(4-(6-(2-methoxyphenyl)pyrimidin-4-ylamino)-2-nitro...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(O)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C17H14N4O4/c1-25-16-5-3-2-4-12(16)13-9-17(19-10-18-13)20-11-6-7-15(22)14(8-11)21(23)24/h2-10,22H,1H3,(H,18,19,20)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316178
PNG
((2-chloro-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamin...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(CO)c2)ncn1
Show InChI InChI=1S/C18H16ClN3O2/c1-24-17-5-3-2-4-14(17)16-9-18(21-11-20-16)22-13-6-7-15(19)12(8-13)10-23/h2-9,11,23H,10H2,1H3,(H,20,21,22)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316184
PNG
(4-(6-(2-methoxyphenyl)pyrimidin-4-ylamino)-2-nitro...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(O)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C17H14N4O4/c1-25-16-5-3-2-4-12(16)13-9-17(19-10-18-13)20-11-6-7-15(22)14(8-11)21(23)24/h2-10,22H,1H3,(H,18,19,20)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316195
PNG
(N-benzyl-2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H24N4O3/c1-32-23-11-7-6-10-20(23)22-15-25(29-17-28-22)30-19-12-13-24(33-2)21(14-19)26(31)27-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,27,31)(H,28,29,30)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316215
PNG
(N-(3-(aminomethyl)-4- methoxyphenyl)-6-(2- methoxy...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN
Show InChI InChI=1S/C19H20N4O2/c1-24-17-8-7-14(9-13(17)11-20)23-19-10-16(21-12-22-19)15-5-3-4-6-18(15)25-2/h3-10,12H,11,20H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316218
PNG
(2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)N(C)N
Show InChI InChI=1S/C20H21N5O3/c1-25(21)20(26)15-10-13(8-9-18(15)28-3)24-19-11-16(22-12-23-19)14-6-4-5-7-17(14)27-2/h4-12H,21H2,1-3H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316224
PNG
(1-{2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-y...)
Show SMILES CNC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC
Show InChI InChI=1S/C20H21N5O3/c1-21-20(26)25-16-10-13(8-9-18(16)28-3)24-19-11-15(22-12-23-19)14-6-4-5-7-17(14)27-2/h4-12H,1-3H3,(H2,21,25,26)(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316243
PNG
(N1-[6-(2-Benzyloxy-phenyl)-pyrimidin-4-yl]-4-metho...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)cc1N
Show InChI InChI=1S/C24H22N4O2/c1-29-23-12-11-18(13-20(23)25)28-24-14-21(26-16-27-24)19-9-5-6-10-22(19)30-15-17-7-3-2-4-8-17/h2-14,16H,15,25H2,1H3,(H,26,27,28)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316262
PNG
(5-Fluoro-N1-[6-(4-fluoro-2-methoxy-phenyl)-pyrimid...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(N)c(OC)c(F)c2)ncn1
Show InChI InChI=1S/C18H16F2N4O2/c1-25-16-5-10(19)3-4-12(16)15-8-17(23-9-22-15)24-11-6-13(20)18(26-2)14(21)7-11/h3-9H,21H2,1-2H3,(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316279
PNG
(2-Chloro-5-[6-(2-methoxy-phenyl)-pyrimidin-4-ylami...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(O)c2)ncn1
Show InChI InChI=1S/C17H14ClN3O2/c1-23-16-5-3-2-4-12(16)14-9-17(20-10-19-14)21-11-6-7-13(18)15(22)8-11/h2-10,22H,1H3,(H,19,20,21)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316280
PNG
(2-Dimethylamino-5-[6-(2-methoxy-phenyl)-pyrimidin-...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(N(C)C)c(O)c2)ncn1
Show InChI InChI=1S/C19H20N4O2/c1-23(2)16-9-8-13(10-17(16)24)22-19-11-15(20-12-21-19)14-6-4-5-7-18(14)25-3/h4-12,24H,1-3H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316300
PNG
(5-[6-(4-Fluoro-2-methoxy-phenyl)- pyrimidin-4-ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)cc1C(N)=O
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-6-4-12(8-14(16)19(21)25)24-18-9-15(22-10-23-18)13-5-3-11(20)7-17(13)27-2/h3-10H,1-2H3,(H2,21,25)(H,22,23,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316304
PNG
(2-Chloro-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylami...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(C(N)=O)c(Cl)c2)ncn1
Show InChI InChI=1S/C18H15ClN4O2/c1-25-16-5-3-2-4-13(16)15-9-17(22-10-21-15)23-11-6-7-12(18(20)24)14(19)8-11/h2-10H,1H3,(H2,20,24)(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316319
PNG
(5-[6-(2-Ethoxy-4-fluoro-phenyl)- pyrimidin-4-ylami...)
Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
Show InChI InChI=1S/C20H18F2N4O3/c1-3-29-18-6-11(21)4-5-12(18)15-9-19(25-10-24-15)26-16-7-13(20(23)27)17(28-2)8-14(16)22/h4-10H,3H2,1-2H3,(H2,23,27)(H,24,25,26)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316183
PNG
(N-(4-methoxy-3-nitrophenyl)-6-(2-methoxyphenyl)pyr...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C18H16N4O4/c1-25-16-6-4-3-5-13(16)14-10-18(20-11-19-14)21-12-7-8-17(26-2)15(9-12)22(23)24/h3-11H,1-2H3,(H,19,20,21)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316231
PNG
(2-Methoxy-N4-[6-(2-methoxy-phenyl)-pyrimidin-4-yl]...)
Show SMILES COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1N
Show InChI InChI=1S/C18H18N4O2/c1-23-16-6-4-3-5-13(16)15-10-18(21-11-20-15)22-12-7-8-14(19)17(9-12)24-2/h3-11H,19H2,1-2H3,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316305
PNG
(2-Methoxy-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...)
Show SMILES COC(=O)c1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC
Show InChI InChI=1S/C20H19N3O4/c1-25-17-7-5-4-6-14(17)16-11-19(22-12-21-16)23-13-8-9-15(20(24)27-3)18(10-13)26-2/h4-12H,1-3H3,(H,21,22,23)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316198
PNG
(2-methoxy-5-(6-(2- methoxyphenyl)pyrimidin-4- ylam...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OC(=O)C(C)(C)C
Show InChI InChI=1S/C23H25N3O4/c1-23(2,3)22(27)30-20-12-15(10-11-19(20)29-5)26-21-13-17(24-14-25-21)16-8-6-7-9-18(16)28-4/h6-14H,1-5H3,(H,24,25,26)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316292
PNG
((4-Benzyloxy-3-methoxy-phenyl)-[6-(2-methoxy-pheny...)
Show SMILES COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H23N3O3/c1-29-22-11-7-6-10-20(22)21-15-25(27-17-26-21)28-19-12-13-23(24(14-19)30-2)31-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,26,27,28)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316238
PNG
(4-Methoxy-N1-[6-(4-methoxy-phenyl)-pyrimidin-4-yl]...)
Show SMILES COc1ccc(cc1)-c1cc(Nc2ccc(OC)c(N)c2)ncn1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-6-3-12(4-7-14)16-10-18(21-11-20-16)22-13-5-8-17(24-2)15(19)9-13/h3-11H,19H2,1-2H3,(H,20,21,22)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316274
PNG
(US10294218, Example 102 | US9617225, Example 102 |...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2ccc(F)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C17H12F2N4O3/c1-26-16-6-10(18)2-4-12(16)14-8-17(21-9-20-14)22-11-3-5-13(19)15(7-11)23(24)25/h2-9H,1H3,(H,20,21,22)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316309
PNG
(3-Fluoro-2-methoxy-5-[6-(2-methoxy-phenyl)-pyrimid...)
Show SMILES COc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-6-4-3-5-12(16)15-9-17(23-10-22-15)24-11-7-13(19(21)25)18(27-2)14(20)8-11/h3-10H,1-2H3,(H2,21,25)(H,22,23,24)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316240
PNG
(4-Methoxy-N1-[6-(3-methoxy-phenyl)-pyrimidin-4-yl]...)
Show SMILES COc1cccc(c1)-c1cc(Nc2ccc(OC)c(N)c2)ncn1
Show InChI InChI=1S/C18H18N4O2/c1-23-14-5-3-4-12(8-14)16-10-18(21-11-20-16)22-13-6-7-17(24-2)15(19)9-13/h3-11H,19H2,1-2H3,(H,20,21,22)
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316246
PNG
(US10294218, Example 74 | US9617225, Example 74 | [...)
Show SMILES COc1ccc(F)cc1-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C18H15FN4O4/c1-26-16-5-3-11(19)7-13(16)14-9-18(21-10-20-14)22-12-4-6-17(27-2)15(8-12)23(24)25/h3-10H,1-2H3,(H,20,21,22)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316310
PNG
(3-Fluoro-5-[6-(4-fluoro-2-methoxy-phenyl)-pyrimidi...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C19H16F2N4O3/c1-27-16-5-10(20)3-4-12(16)15-8-17(24-9-23-15)25-11-6-13(19(22)26)18(28-2)14(21)7-11/h3-9H,1-2H3,(H2,22,26)(H,23,24,25)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316312
PNG
(3-Fluoro-5-[6-(5-fluoro-2-methoxy-phenyl)-pyrimidi...)
Show SMILES COc1ccc(F)cc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C19H16F2N4O3/c1-27-16-4-3-10(20)5-12(16)15-8-17(24-9-23-15)25-11-6-13(19(22)26)18(28-2)14(21)7-11/h3-9H,1-2H3,(H2,22,26)(H,23,24,25)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316208
PNG
(N-(3-(benzyloxy)-4-methoxyphenyl)-6-(2-methoxyphen...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1OCc1ccccc1
Show InChI InChI=1S/C25H23N3O3/c1-29-22-11-7-6-10-20(22)21-15-25(27-17-26-21)28-19-12-13-23(30-2)24(14-19)31-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,26,27,28)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316242
PNG
(2-[6-(3-Amino-4-methoxy-phenylamino)-pyrimidin-4-y...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2O)cc1N
Show InChI InChI=1S/C17H16N4O2/c1-23-16-7-6-11(8-13(16)18)21-17-9-14(19-10-20-17)12-4-2-3-5-15(12)22/h2-10,22H,18H2,1H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316250
PNG
(US10294218, Example 78 | US9617225, Example 78 | [...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC(C)C)cc1[N+]([O-])=O
Show InChI InChI=1S/C20H20N4O4/c1-13(2)28-18-7-5-4-6-15(18)16-11-20(22-12-21-16)23-14-8-9-19(27-3)17(10-14)24(25)26/h4-13H,1-3H3,(H,21,22,23)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316253
PNG
(N1-[6-(3-Fluoro-2-methoxy-phenyl)-pyrimidin-4-yl]-...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2cccc(F)c2OC)cc1N
Show InChI InChI=1S/C18H17FN4O2/c1-24-16-7-6-11(8-14(16)20)23-17-9-15(21-10-22-17)12-4-3-5-13(19)18(12)25-2/h3-10H,20H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316311
PNG
(5-[6-(2-Ethoxy-4-fluoro-phenyl)-pyrimidin-4-ylamin...)
Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H18F2N4O3/c1-3-29-17-6-11(21)4-5-13(17)16-9-18(25-10-24-16)26-12-7-14(20(23)27)19(28-2)15(22)8-12/h4-10H,3H2,1-2H3,(H2,23,27)(H,24,25,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316320
PNG
(5-[6-(2-Ethoxy-5-fluoro-phenyl)-pyrimidin-4-ylamin...)
Show SMILES CCOc1ccc(F)cc1-c1cc(Nc2cc(C(N)=O)c(OC)cc2F)ncn1
Show InChI InChI=1S/C20H18F2N4O3/c1-3-29-17-5-4-11(21)6-12(17)15-9-19(25-10-24-15)26-16-7-13(20(23)27)18(28-2)8-14(16)22/h4-10H,3H2,1-2H3,(H2,23,27)(H,24,25,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316230
PNG
((3-Methoxy-4-nitro-phenyl)-[6-(2-methoxy-phenyl)-p...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(c(OC)c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C18H16N4O4/c1-25-16-6-4-3-5-13(16)14-10-18(20-11-19-14)21-12-7-8-15(22(23)24)17(9-12)26-2/h3-11H,1-2H3,(H,19,20,21)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316239
PNG
((4-Methoxy-3-nitro-phenyl)-[6-(3-methoxy-phenyl)-p...)
Show SMILES COc1cccc(c1)-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C18H16N4O4/c1-25-14-5-3-4-12(8-14)15-10-18(20-11-19-15)21-13-6-7-17(26-2)16(9-13)22(23)24/h3-11H,1-2H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316249
PNG
(4-Methoxy-N1-[6-(2-phenoxy-phenyl)-pyrimidin-4-yl]...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2Oc2ccccc2)cc1N
Show InChI InChI=1S/C23H20N4O2/c1-28-22-12-11-16(13-19(22)24)27-23-14-20(25-15-26-23)18-9-5-6-10-21(18)29-17-7-3-2-4-8-17/h2-15H,24H2,1H3,(H,25,26,27)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316264
PNG
(4-Fluoro-6-methoxy-N3-[6-(2-methoxy-phenyl)-pyrimi...)
Show SMILES COc1cc(F)c(Nc2cc(ncn2)-c2ccccc2OC)cc1N
Show InChI InChI=1S/C18H17FN4O2/c1-24-16-6-4-3-5-11(16)14-9-18(22-10-21-14)23-15-8-13(20)17(25-2)7-12(15)19/h3-10H,20H2,1-2H3,(H,21,22,23)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316268
PNG
(US10294218, Example 96 | US9617225, Example 96 | [...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(Oc3ccccc3)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C23H18N4O4/c1-30-21-10-6-5-9-18(21)19-14-23(25-15-24-19)26-16-11-12-22(20(13-16)27(28)29)31-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316269
PNG
(N1-[6-(2-Methoxy-phenyl)-pyrimidin-4-yl]-4-phenoxy...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(Oc3ccccc3)c(N)c2)ncn1
Show InChI InChI=1S/C23H20N4O2/c1-28-21-10-6-5-9-18(21)20-14-23(26-15-25-20)27-16-11-12-22(19(24)13-16)29-17-7-3-2-4-8-17/h2-15H,24H2,1H3,(H,25,26,27)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316192
PNG
(2-(2-chloro-5-(6-(2-methoxyphenyl)pyrimidin-4-ylam...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(CN3C(=O)c4ccccc4C3=O)c2)ncn1
Show InChI InChI=1S/C26H19ClN4O3/c1-34-23-9-5-4-8-20(23)22-13-24(29-15-28-22)30-17-10-11-21(27)16(12-17)14-31-25(32)18-6-2-3-7-19(18)26(31)33/h2-13,15H,14H2,1H3,(H,28,29,30)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316248
PNG
((4-Methoxy-3-nitro-phenyl)-[6-(2-phenoxy-phenyl)-p...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2Oc2ccccc2)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O4/c1-30-22-12-11-16(13-20(22)27(28)29)26-23-14-19(24-15-25-23)18-9-5-6-10-21(18)31-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316252
PNG
(US10294218, Example 80 | US9617225, Example 80 | [...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2cccc(F)c2OC)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H15FN4O4/c1-26-16-7-6-11(8-15(16)23(24)25)22-17-9-14(20-10-21-17)12-4-3-5-13(19)18(12)27-2/h3-10H,1-2H3,(H,20,21,22)
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VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316254
PNG
(US10294218, Example 82 | US9617225, Example 82 | [...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2cc(F)c(F)cc2OC)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H14F2N4O4/c1-27-16-4-3-10(5-15(16)24(25)26)23-18-8-14(21-9-22-18)11-6-12(19)13(20)7-17(11)28-2/h3-9H,1-2H3,(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316259
PNG
((3-Fluoro-4-methoxy-5-nitro-phenyl)-[6-(2-methoxy-...)
Show SMILES COc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C18H15FN4O4/c1-26-16-6-4-3-5-12(16)14-9-17(21-10-20-14)22-11-7-13(19)18(27-2)15(8-11)23(24)25/h3-10H,1-2H3,(H,20,21,22)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316199
PNG
(2,2,2-trichloroethyl 2-methoxy-5-(6-(2-methoxyphen...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC(=O)OCC(Cl)(Cl)Cl
Show InChI InChI=1S/C21H19Cl3N4O4/c1-30-17-6-4-3-5-14(17)15-10-19(26-12-25-15)27-13-7-8-18(31-2)16(9-13)28-20(29)32-11-21(22,23)24/h3-10,12H,11H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316237
PNG
((4-Methoxy-3-nitro-phenyl)-[6-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1cc(Nc2ccc(OC)c(c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C18H16N4O4/c1-25-14-6-3-12(4-7-14)15-10-18(20-11-19-15)21-13-5-8-17(26-2)16(9-13)22(23)24/h3-11H,1-2H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316272
PNG
((4-Ethoxy-3-nitro-phenyl)-[6-(2-methoxy-phenyl)-py...)
Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O4/c1-3-27-18-9-8-13(10-16(18)23(24)25)22-19-11-15(20-12-21-19)14-6-4-5-7-17(14)26-2/h4-12H,3H2,1-2H3,(H,20,21,22)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316206
PNG
(N-(4-methoxy-3-((phenylamino)methyl)phenyl)-6-(2-m...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNc1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-30-23-13-12-20(14-18(23)16-26-19-8-4-3-5-9-19)29-25-15-22(27-17-28-25)21-10-6-7-11-24(21)31-2/h3-15,17,26H,16H2,1-2H3,(H,27,28,29)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316229
PNG
((3-Fluoro-4-nitro-phenyl)-[6-(2-methoxy-phenyl)-py...)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(c(F)c2)[N+]([O-])=O)ncn1
Show InChI InChI=1S/C17H13FN4O3/c1-25-16-5-3-2-4-12(16)14-9-17(20-10-19-14)21-11-6-7-15(22(23)24)13(18)8-11/h2-10H,1H3,(H,19,20,21)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316241
PNG
(US10294218, Example 69 | US9617225, Example 69 | [...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OCc2ccccc2)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H20N4O4/c1-31-23-12-11-18(13-21(23)28(29)30)27-24-14-20(25-16-26-24)19-9-5-6-10-22(19)32-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,26,27)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316287
PNG
((3-Bromo-4-methoxy-phenyl)-[6-(2-methoxy-phenyl)-p...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Br
Show InChI InChI=1S/C18H16BrN3O2/c1-23-16-6-4-3-5-13(16)15-10-18(21-11-20-15)22-12-7-8-17(24-2)14(19)9-12/h3-11H,1-2H3,(H,20,21,22)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))		BDBM316226
PNG
(N3-(1H-Benzoimidazol-2-yl)-4-methoxy-N1-[6-(2-meth...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H22N6O2/c1-32-22-10-6-3-7-17(22)20-14-24(27-15-26-20)28-16-11-12-23(33-2)21(13-16)31-25-29-18-8-4-5-9-19(18)30-25/h3-15H,1-2H3,(H,26,27,28)(H2,29,30,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...

US Patent US10294218 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%