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Patent code US10787436

Compile Data Set for Download or QSAR
Found 82 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464089
PNG
(US10787436, Compound I-25)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Cl)c(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H27Cl2N7O2/c1-40(2)15-5-8-28(41)36-20-11-9-19(10-12-20)30(42)37-21-13-14-24(32)27(16-21)38-31-35-18-25(33)29(39-31)23-17-34-26-7-4-3-6-22(23)26/h3-14,16-18,34H,15H2,1-2H3,(H,36,41)(H,37,42)(H,35,38,39)/b8-5+
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n/an/a 87.8n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464107
PNG
(US10787436, Compound I-50)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2sc(C)nc2C)c1
Show InChI InChI=1S/C28H28ClN7O2S/c1-17-26(39-18(2)31-17)25-23(29)16-30-28(35-25)34-22-8-5-7-21(15-22)33-27(38)19-10-12-20(13-11-19)32-24(37)9-6-14-36(3)4/h5-13,15-16H,14H2,1-4H3,(H,32,37)(H,33,38)(H,30,34,35)/b9-6+
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n/an/a 92.3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464089
PNG
(US10787436, Compound I-25)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Cl)c(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H27Cl2N7O2/c1-40(2)15-5-8-28(41)36-20-11-9-19(10-12-20)30(42)37-21-13-14-24(32)27(16-21)38-31-35-18-25(33)29(39-31)23-17-34-26-7-4-3-6-22(23)26/h3-14,16-18,34H,15H2,1-2H3,(H,36,41)(H,37,42)(H,35,38,39)/b8-5+
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464109
PNG
(US10787436, Compound I-52 | US10787436, Compound I...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C30H28ClN7O3S/c1-38(2)16-6-11-28(39)34-20-12-14-23(15-13-20)42(40,41)37-22-8-5-7-21(17-22)35-30-33-19-26(31)29(36-30)25-18-32-27-10-4-3-9-24(25)27/h3-15,17-19,32,37H,16H2,1-2H3,(H,34,39)(H,33,35,36)/b11-6+
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464088
PNG
(US10787436, Compound I-24)
Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)cc2)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H23ClN6O2/c1-3-26(37)33-19-12-9-18(10-13-19)28(38)34-20-11-8-17(2)25(14-20)35-29-32-16-23(30)27(36-29)22-15-31-24-7-5-4-6-21(22)24/h3-16,31H,1H2,2H3,(H,33,37)(H,34,38)(H,32,35,36)
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464105
PNG
(US10787436, Compound I-43)
Show SMILES CN(C)C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-40(2)16-6-11-29(41)35-18-21-12-14-22(15-13-21)31(42)37-23-7-5-8-24(17-23)38-32-36-20-27(33)30(39-32)26-19-34-28-10-4-3-9-25(26)28/h3-15,17,19-20,34H,16,18H2,1-2H3,(H,35,41)(H,37,42)(H,36,38,39)/b11-6+
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464086
PNG
(US10787436, Compound I-22)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-20-10-13-23(37-31(42)21-11-14-22(15-12-21)36-29(41)9-6-16-40(2)3)17-28(20)38-32-35-19-26(33)30(39-32)25-18-34-27-8-5-4-7-24(25)27/h4-15,17-19,34H,16H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/b9-6+
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM464084
PNG
(US10787436, Compound I-20)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cc(Nc2ncc(C)c(n2)-c2c[nH]c3ccccc23)c(Cl)cc1C
Show InChI InChI=1S/C33H32ClN7O2/c1-20-16-26(34)29(39-33-36-18-21(2)31(40-33)25-19-35-27-9-6-5-8-24(25)27)17-28(20)38-32(43)22-11-13-23(14-12-22)37-30(42)10-7-15-41(3)4/h5-14,16-19,35H,15H2,1-4H3,(H,37,42)(H,38,43)(H,36,39,40)/b10-7+
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464123
PNG
(US10787436, Compound I-70)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1nc(Nc2cccc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2)ncc1Cl
Show InChI InChI=1S/C30H29ClN8O2/c1-3-27(40)34-22-9-7-20(8-10-22)29(41)35-23-5-4-6-24(18-23)36-30-33-19-25(31)28(37-30)21-11-12-32-26(17-21)39-15-13-38(2)14-16-39/h3-12,17-19H,1,13-16H2,2H3,(H,34,40)(H,35,41)(H,33,36,37)
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Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464113
PNG
(US10787436, Compound I-57)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N(C)c1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-39(2)17-7-12-29(41)36-22-15-13-21(14-16-22)31(42)40(3)24-9-6-8-23(18-24)37-32-35-20-27(33)30(38-32)26-19-34-28-11-5-4-10-25(26)28/h4-16,18-20,34H,17H2,1-3H3,(H,36,41)(H,35,37,38)/b12-7+
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Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464109
PNG
(US10787436, Compound I-52 | US10787436, Compound I...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C30H28ClN7O3S/c1-38(2)16-6-11-28(39)34-20-12-14-23(15-13-20)42(40,41)37-22-8-5-7-21(17-22)35-30-33-19-26(31)29(36-30)25-18-32-27-10-4-3-9-24(25)27/h3-15,17-19,32,37H,16H2,1-2H3,(H,34,39)(H,33,35,36)/b11-6+
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Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464107
PNG
(US10787436, Compound I-50)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2sc(C)nc2C)c1
Show InChI InChI=1S/C28H28ClN7O2S/c1-17-26(39-18(2)31-17)25-23(29)16-30-28(35-25)34-22-8-5-7-21(15-22)33-27(38)19-10-12-20(13-11-19)32-24(37)9-6-14-36(3)4/h5-13,15-16H,14H2,1-4H3,(H,32,37)(H,33,38)(H,30,34,35)/b9-6+
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Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464111
PNG
(US10787436, Compound I-55)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28N8O3S/c1-39(2)16-6-11-29(40)35-22-12-14-25(15-13-22)43(41,42)38-24-8-5-7-23(17-24)36-31-34-19-21(18-32)30(37-31)27-20-33-28-10-4-3-9-26(27)28/h3-15,17,19-20,33,38H,16H2,1-2H3,(H,35,40)(H,34,36,37)/b11-6+
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Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464110
PNG
(US10787436, Compound I-53)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C32H28N8O2/c1-40(2)16-6-11-29(41)36-23-14-12-21(13-15-23)31(42)37-24-7-5-8-25(17-24)38-32-35-19-22(18-33)30(39-32)27-20-34-28-10-4-3-9-26(27)28/h3-15,17,19-20,34H,16H2,1-2H3,(H,36,41)(H,37,42)(H,35,38,39)/b11-6+
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Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM464110
PNG
(US10787436, Compound I-53)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C32H28N8O2/c1-40(2)16-6-11-29(41)36-23-14-12-21(13-15-23)31(42)37-24-7-5-8-25(17-24)38-32-35-19-22(18-33)30(39-32)27-20-34-28-10-4-3-9-26(27)28/h3-15,17,19-20,34H,16H2,1-2H3,(H,36,41)(H,37,42)(H,35,38,39)/b11-6+
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Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


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

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464108
PNG
(US10787436, Compound I-49)
Show SMILES CN(CCCNC(=O)NCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
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Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464121
PNG
(US10787436, Compound I-68)
Show SMILES CN(C)C\C=C/C(=O)Nc1ccc(NC(=O)c2cccc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)c2)cc1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-12-14-22(15-13-21)36-30(41)20-7-5-8-23(17-20)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6-
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Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


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

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


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

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464104
PNG
(US10787436, Compound I-42)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(c(n2)-c2c[nH]c3ccccc23)C(F)(F)F)c1
Show InChI InChI=1S/C32H28F3N7O2/c1-42(2)16-6-11-28(43)38-21-14-12-20(13-15-21)30(44)39-22-7-5-8-23(17-22)40-31-37-19-26(32(33,34)35)29(41-31)25-18-36-27-10-4-3-9-24(25)27/h3-15,17-19,36H,16H2,1-2H3,(H,38,43)(H,39,44)(H,37,40,41)/b11-6+
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464112
PNG
(US10787436, Compound I-56)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)ccc1C
Show InChI InChI=1S/C33H30N8O2/c1-21-10-13-25(38-33-36-19-23(18-34)31(40-33)27-20-35-28-8-5-4-7-26(27)28)17-29(21)39-32(43)22-11-14-24(15-12-22)37-30(42)9-6-16-41(2)3/h4-15,17,19-20,35H,16H2,1-3H3,(H,37,42)(H,39,43)(H,36,38,40)/b9-6+
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464090
PNG
(US10787436, Compound I-26)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(C3CC3)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C34H33N7O2/c1-41(2)18-6-11-31(42)37-24-16-14-23(15-17-24)33(43)38-25-7-5-8-26(19-25)39-34-36-20-28(22-12-13-22)32(40-34)29-21-35-30-10-4-3-9-27(29)30/h3-11,14-17,19-22,35H,12-13,18H2,1-2H3,(H,37,42)(H,38,43)(H,36,39,40)/b11-6+
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n/an/a 184n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 201n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464092
PNG
(US10787436, Compound I-28)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cn(C)c3ccccc23)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-39(2)17-7-12-29(41)35-22-15-13-21(14-16-22)31(42)36-23-8-6-9-24(18-23)37-32-34-19-27(33)30(38-32)26-20-40(3)28-11-5-4-10-25(26)28/h4-16,18-20H,17H2,1-3H3,(H,35,41)(H,36,42)(H,34,37,38)/b12-7+
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n/an/a 238n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464093
PNG
(US10787436, Compound I-29)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cnc3[nH]ccc3c2)c1
Show InChI InChI=1S/C30H27ClN8O2/c1-39(2)14-4-7-26(40)35-22-10-8-19(9-11-22)29(41)36-23-5-3-6-24(16-23)37-30-34-18-25(31)27(38-30)21-15-20-12-13-32-28(20)33-17-21/h3-13,15-18H,14H2,1-2H3,(H,32,33)(H,35,40)(H,36,41)(H,34,37,38)/b7-4+
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n/an/a 288n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464094
PNG
(US10787436, Compound I-30)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cccc3[nH]ccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)17-5-10-28(40)35-21-13-11-20(12-14-21)30(41)36-22-6-3-7-23(18-22)37-31-34-19-26(32)29(38-31)25-8-4-9-27-24(25)15-16-33-27/h3-16,18-19,33H,17H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b10-5+
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n/an/a 347n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464106
PNG
(US10787436, Compound I-44)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H29N7O2/c1-38(2)18-6-11-29(39)34-22-14-12-21(13-15-22)30(40)35-23-7-5-8-24(19-23)36-31-32-17-16-28(37-31)26-20-33-27-10-4-3-9-25(26)27/h3-17,19-20,33H,18H2,1-2H3,(H,34,39)(H,35,40)(H,32,36,37)/b11-6+
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n/an/a 391n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464095
PNG
(US10787436, Compound I-31 | US10787436, Compound I...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nc(-c3c[nH]c4ccccc34)c3ccccc3n2)c1
Show InChI InChI=1S/C35H31N7O2/c1-42(2)20-8-15-32(43)37-24-18-16-23(17-19-24)34(44)38-25-9-7-10-26(21-25)39-35-40-31-14-6-4-12-28(31)33(41-35)29-22-36-30-13-5-3-11-27(29)30/h3-19,21-22,36H,20H2,1-2H3,(H,37,43)(H,38,44)(H,39,40,41)/b15-8+
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n/an/a 416n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464119
PNG
(US10787436, Compound I-64)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2ccc3ccn(C)c3n2)c1
Show InChI InChI=1S/C31H29ClN8O2/c1-39(2)16-5-8-27(41)34-22-12-9-21(10-13-22)30(42)35-23-6-4-7-24(18-23)36-31-33-19-25(32)28(38-31)26-14-11-20-15-17-40(3)29(20)37-26/h4-15,17-19H,16H2,1-3H3,(H,34,41)(H,35,42)(H,33,36,38)/b8-5+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464106
PNG
(US10787436, Compound I-44)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H29N7O2/c1-38(2)18-6-11-29(39)34-22-14-12-21(13-15-22)30(40)35-23-7-5-8-24(19-23)36-31-32-17-16-28(37-31)26-20-33-27-10-4-3-9-25(26)27/h3-17,19-20,33H,18H2,1-2H3,(H,34,39)(H,35,40)(H,32,36,37)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464124
PNG
(US10787436, Compound I-71)
Show SMILES Clc1cnc(Nc2cccc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2)nc1-c1ccnc(c1)N1CCNCC1
Show InChI InChI=1S/C29H27ClN8O2/c1-2-26(39)34-21-8-6-19(7-9-21)28(40)35-22-4-3-5-23(17-22)36-29-33-18-24(30)27(37-29)20-10-11-32-25(16-20)38-14-12-31-13-15-38/h2-11,16-18,31H,1,12-15H2,(H,34,39)(H,35,40)(H,33,36,37)
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464099
PNG
(US10787436, Compound I-37)
Show SMILES CCSNC(=O)CCNc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C30H28ClN7O2S/c1-2-41-38-27(39)14-15-32-20-12-10-19(11-13-20)29(40)35-21-6-5-7-22(16-21)36-30-34-18-25(31)28(37-30)24-17-33-26-9-4-3-8-23(24)26/h3-13,16-18,32-33H,2,14-15H2,1H3,(H,35,40)(H,38,39)(H,34,36,37)
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

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


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464114
PNG
(US10787436, Compound I-59)
Show SMILES CC(C)c1cnc(Nc2cccc(NC(=O)c3ccc(NC(=O)\C=C\CN(C)C)cc3)c2)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C34H35N7O2/c1-22(2)28-20-36-34(40-32(28)29-21-35-30-12-6-5-11-27(29)30)39-26-10-7-9-25(19-26)38-33(43)23-14-16-24(17-15-23)37-31(42)13-8-18-41(3)4/h5-17,19-22,35H,18H2,1-4H3,(H,37,42)(H,38,43)(H,36,39,40)/b13-8+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM464109
PNG
(US10787436, Compound I-52 | US10787436, Compound I...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C30H28ClN7O3S/c1-38(2)16-6-11-28(39)34-20-12-14-23(15-13-20)42(40,41)37-22-8-5-7-21(17-22)35-30-33-19-26(31)29(36-30)25-18-32-27-10-4-3-9-24(25)27/h3-15,17-19,32,37H,16H2,1-2H3,(H,34,39)(H,33,35,36)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM464110
PNG
(US10787436, Compound I-53)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C32H28N8O2/c1-40(2)16-6-11-29(41)36-23-14-12-21(13-15-23)31(42)37-24-7-5-8-25(17-24)38-32-35-19-22(18-33)30(39-32)27-20-34-28-10-4-3-9-26(27)28/h3-15,17,19-20,34H,16H2,1-2H3,(H,36,41)(H,37,42)(H,35,38,39)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464119
PNG
(US10787436, Compound I-64)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2ccc3ccn(C)c3n2)c1
Show InChI InChI=1S/C31H29ClN8O2/c1-39(2)16-5-8-27(41)34-22-12-9-21(10-13-22)30(42)35-23-6-4-7-24(18-23)36-31-33-19-25(32)28(38-31)26-14-11-20-15-17-40(3)29(20)37-26/h4-15,17-19H,16H2,1-3H3,(H,34,41)(H,35,42)(H,33,36,38)/b8-5+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464116
PNG
(US10787436, Compound I-61)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2ccc3n(C)ccc3c2)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-39(2)16-5-8-29(41)35-24-12-9-21(10-13-24)31(42)36-25-6-4-7-26(19-25)37-32-34-20-27(33)30(38-32)23-11-14-28-22(18-23)15-17-40(28)3/h4-15,17-20H,16H2,1-3H3,(H,35,41)(H,36,42)(H,34,37,38)/b8-5+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464092
PNG
(US10787436, Compound I-28)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cn(C)c3ccccc23)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-39(2)17-7-12-29(41)35-22-15-13-21(14-16-22)31(42)36-23-8-6-9-24(18-23)37-32-34-19-27(33)30(38-32)26-20-40(3)28-11-5-4-10-25(26)28/h4-16,18-20H,17H2,1-3H3,(H,35,41)(H,36,42)(H,34,37,38)/b12-7+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM464109
PNG
(US10787436, Compound I-52 | US10787436, Compound I...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C30H28ClN7O3S/c1-38(2)16-6-11-28(39)34-20-12-14-23(15-13-20)42(40,41)37-22-8-5-7-21(17-22)35-30-33-19-26(31)29(36-30)25-18-32-27-10-4-3-9-24(25)27/h3-15,17-19,32,37H,16H2,1-2H3,(H,34,39)(H,33,35,36)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464115
PNG
(US10787436, Compound I-60)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cccc3n(C)ccc23)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-39(2)17-6-11-29(41)35-22-14-12-21(13-15-22)31(42)36-23-7-4-8-24(19-23)37-32-34-20-27(33)30(38-32)26-9-5-10-28-25(26)16-18-40(28)3/h4-16,18-20H,17H2,1-3H3,(H,35,41)(H,36,42)(H,34,37,38)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464122
PNG
(US10787436, Compound I-69)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)17-5-8-28(40)35-21-11-9-20(10-12-21)30(41)36-22-13-15-23(16-14-22)37-31-34-19-26(32)29(38-31)25-18-33-27-7-4-3-6-24(25)27/h3-16,18-19,33H,17H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b8-5+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464099
PNG
(US10787436, Compound I-37)
Show SMILES CCSNC(=O)CCNc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C30H28ClN7O2S/c1-2-41-38-27(39)14-15-32-20-12-10-19(11-13-20)29(40)35-21-6-5-7-22(16-21)36-30-34-18-25(31)28(37-30)24-17-33-26-9-4-3-8-23(24)26/h3-13,16-18,32-33H,2,14-15H2,1H3,(H,35,40)(H,38,39)(H,34,36,37)
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n/an/a 557n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464103
PNG
(US10787436, Compound I-41)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c3cccc(C)c23)c1
Show InChI InChI=1S/C33H33N7O2/c1-21-8-5-11-28-30(21)27(20-34-28)31-22(2)19-35-33(39-31)38-26-10-6-9-25(18-26)37-32(42)23-13-15-24(16-14-23)36-29(41)12-7-17-40(3)4/h5-16,18-20,34H,17H2,1-4H3,(H,36,41)(H,37,42)(H,35,38,39)/b12-7+
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n/an/a 809n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464101
PNG
(US10787436, Compound I-39)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nc(C)c(C)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C33H33N7O2/c1-21-22(2)35-33(39-31(21)28-20-34-29-12-6-5-11-27(28)29)38-26-10-7-9-25(19-26)37-32(42)23-14-16-24(17-15-23)36-30(41)13-8-18-40(3)4/h5-17,19-20,34H,18H2,1-4H3,(H,36,41)(H,37,42)(H,35,38,39)/b13-8+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464095
PNG
(US10787436, Compound I-31 | US10787436, Compound I...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nc(-c3c[nH]c4ccccc34)c3ccccc3n2)c1
Show InChI InChI=1S/C35H31N7O2/c1-42(2)20-8-15-32(43)37-24-18-16-23(17-19-24)34(44)38-25-9-7-10-26(21-25)39-35-40-31-14-6-4-12-28(31)33(41-35)29-22-36-30-13-5-3-11-27(29)30/h3-19,21-22,36H,20H2,1-2H3,(H,37,43)(H,38,44)(H,39,40,41)/b15-8+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

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


(Homo sapiens (Human))
BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464118
PNG
(US10787436, Compound I-63)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cc3ccccc3n2C)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-39(2)17-7-12-29(41)35-23-15-13-21(14-16-23)31(42)36-24-9-6-10-25(19-24)37-32-34-20-26(33)30(38-32)28-18-22-8-4-5-11-27(22)40(28)3/h4-16,18-20H,17H2,1-3H3,(H,35,41)(H,36,42)(H,34,37,38)/b12-7+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464100
PNG
(US10787436, Compound I-38)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c(nn3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C36H31ClN8O2/c1-44(2)20-9-15-31(46)39-26-18-16-25(17-19-26)35(47)40-27-12-8-13-28(22-27)41-36-38-23-29(37)34(42-36)32-30-14-6-7-21-45(30)43-33(32)24-10-4-3-5-11-24/h3-19,21-23H,20H2,1-2H3,(H,39,46)(H,40,47)(H,38,41,42)/b15-9+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464117
PNG
(US10787436, Compound I-62)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2ccc3ccn(C)c3c2)c1
Show InChI InChI=1S/C32H30ClN7O2/c1-39(2)16-5-8-29(41)35-24-13-11-22(12-14-24)31(42)36-25-6-4-7-26(19-25)37-32-34-20-27(33)30(38-32)23-10-9-21-15-17-40(3)28(21)18-23/h4-15,17-20H,16H2,1-3H3,(H,35,41)(H,36,42)(H,34,37,38)/b8-5+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464096
PNG
(US10787436, Compound I-32)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2ccc3cc[nH]c3c2)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-4-7-28(40)35-23-12-10-21(11-13-23)30(41)36-24-5-3-6-25(18-24)37-31-34-19-26(32)29(38-31)22-9-8-20-14-15-33-27(20)17-22/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b7-4+
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n/an/a 1.18E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464101
PNG
(US10787436, Compound I-39)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nc(C)c(C)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C33H33N7O2/c1-21-22(2)35-33(39-31(21)28-20-34-29-12-6-5-11-27(28)29)38-26-10-7-9-25(19-26)37-32(42)23-14-16-24(17-15-23)36-30(41)13-8-18-40(3)4/h5-17,19-20,34H,18H2,1-4H3,(H,36,41)(H,37,42)(H,35,38,39)/b13-8+
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n/an/a 1.35E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464095
PNG
(US10787436, Compound I-31 | US10787436, Compound I...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nc(-c3c[nH]c4ccccc34)c3ccccc3n2)c1
Show InChI InChI=1S/C35H31N7O2/c1-42(2)20-8-15-32(43)37-24-18-16-23(17-19-24)34(44)38-25-9-7-10-26(21-25)39-35-40-31-14-6-4-12-28(31)33(41-35)29-22-36-30-13-5-3-11-27(29)30/h3-19,21-22,36H,20H2,1-2H3,(H,37,43)(H,38,44)(H,39,40,41)/b15-8+
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n/an/a 1.42E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464100
PNG
(US10787436, Compound I-38)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c(nn3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C36H31ClN8O2/c1-44(2)20-9-15-31(46)39-26-18-16-25(17-19-26)35(47)40-27-12-8-13-28(22-27)41-36-38-23-29(37)34(42-36)32-30-14-6-7-21-45(30)43-33(32)24-10-4-3-5-11-24/h3-19,21-23H,20H2,1-2H3,(H,39,46)(H,40,47)(H,38,41,42)/b15-9+
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n/an/a 3.01E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464102
PNG
(US10787436, Compound I-40)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2c[nH]c3cccc(C)c23)c1
Show InChI InChI=1S/C32H31N7O2/c1-21-7-4-10-28-30(21)26(20-34-28)27-16-17-33-32(38-27)37-25-9-5-8-24(19-25)36-31(41)22-12-14-23(15-13-22)35-29(40)11-6-18-39(2)3/h4-17,19-20,34H,18H2,1-3H3,(H,35,40)(H,36,41)(H,33,37,38)/b11-6+
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n/an/a 3.47E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM464098
PNG
(US10787436, Compound I-34)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cc3ccccc3[nH]2)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)34-22-14-12-20(13-15-22)30(41)35-23-8-5-9-24(18-23)36-31-33-19-25(32)29(38-31)27-17-21-7-3-4-10-26(21)37-27/h3-15,17-19,37H,16H2,1-2H3,(H,34,40)(H,35,41)(H,33,36,38)/b11-6+
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n/an/a 4.75E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


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


US Patent US10787436 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%