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Patent code US10870651

Compile Data Set for Download or QSAR
Found 52 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
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476730
PNG
(US10870651, Compound 118)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(N[C@@H]3CCC[C@H](C3)NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1
PDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476736
PNG
(US10870651, Compound 216)
Show SMILES COc1cc(NC(=O)C=C)ccc1C(=O)Nc1n[nH]c2c1CN(C(=O)N[C@H](CN(C)C)c1ccccc1)C2(C)C
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476737
PNG
(US10870651, Compound 217)
Show SMILES COc1cc(ccc1NC(=O)C=C)C(=O)Nc1n[nH]c2c1CN(C(=O)N[C@H](CN(C)C)c1ccccc1)C2(C)C
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476734
PNG
(US10870651, Compound 214)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476728
PNG
(US10870651, Compound 116)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCN(CC3)C(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476722
PNG
(US10870651, Compound 110)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)C=C)c3)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476742
PNG
(US10870651, Compound 234)
Show SMILES CC(C)[C@H]1N(Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c12)C(=O)N[C@H](CN(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476731
PNG
(US10870651, Compound 119)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCC(CC3)NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476726
PNG
(US10870651, Compound 114)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)[C@H]3CCCN(C3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476724
PNG
(US10870651, Compound 112)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476721
PNG
(US10870651, Compound 109)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)c1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476718
PNG
(US10870651, Compound 105)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4cccc(NC(=O)C=C)c4)c3)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chek2


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476727
PNG
(US10870651, Compound 115)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476716
PNG
(US10870651, Compound 103)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccc(NC(=O)c4cccc(NC(=O)C=C)c4)cc3)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476740
PNG
(US10870651, Compound 232)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCCN(C3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476739
PNG
(US10870651, Compound 231)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC3CCN(CC3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476738
PNG
(US10870651, Compound 222)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)[C@H]3CC[C@@H](CC3)NC(=O)C=C)n[nH]c2C1(C)C)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476719
PNG
(US10870651, Compound 107)
Show SMILES CN1CCN(CC1)C(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C
Show InChI InChI=1S/C29H34N8O3/c1-5-24(38)30-20-11-9-19(10-12-20)27(39)32-22-8-6-7-21(17-22)31-26-23-18-37(29(2,3)25(23)33-34-26)28(40)36-15-13-35(4)14-16-36/h5-12,17H,1,13-16,18H2,2-4H3,(H,30,38)(H,32,39)(H2,31,33,34)
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476720
PNG
(US10870651, Compound 108)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476741
PNG
(US10870651, Compound 233)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C11CC1)c1ccccc1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476750
PNG
(US10870651, Compound 241)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3cccc(NC(=O)C=C)c3)nn(C)c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C29H35N7O3/c1-7-24(37)30-21-15-11-14-20(16-21)27(38)32-26-22-17-36(29(2,3)25(22)35(6)33-26)28(39)31-23(18-34(4)5)19-12-9-8-10-13-19/h7-16,23H,1,17-18H2,2-6H3,(H,30,37)(H,31,39)(H,32,33,38)/t23-/m1/s1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM50526807
PNG
(CHEMBL4467048 | US10870651, Compound 102)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-14-12-23(13-15-24)32(44)37-26-18-16-25(17-19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-10-8-7-9-11-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
PDB

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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476725
PNG
(US10870651, Compound 113)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)[C@@H]3CCCN(C3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1
PDB

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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476733
PNG
(US10870651, Compound 123)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)C3CCN(CC3)C(=O)C=C)n[nH]c2C1(C)C)c1ccccc1
PDB

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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476717
PNG
(US10870651, Compound 104)
Show SMILES CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c1
PDB

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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476729
PNG
(US10870651, Compound 117)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(N[C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1
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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476732
PNG
(US10870651, Compound 120)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3cccc(NC(=O)C=C)c3)n[nH]c2C1(C)C)c1ccccc1
PDB

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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476735
PNG
(US10870651, Compound 215)
Show SMILES CCC(=O)Nc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C(=O)N[C@H](CN(C)C)c1ccccc1)C2(C)C
PDB

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n/an/a<100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476714
PNG
(US10870651, Compound 106)
Show SMILES CN(C)CCNC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C
Show InChI InChI=1S/C28H34N8O3/c1-6-23(37)30-19-12-10-18(11-13-19)26(38)32-21-9-7-8-20(16-21)31-25-22-17-36(27(39)29-14-15-35(4)5)28(2,3)24(22)33-34-25/h6-13,16H,1,14-15,17H2,2-5H3,(H,29,39)(H,30,37)(H,32,38)(H2,31,33,34)
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n/an/a 300n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476744
PNG
(US10870651, Compound 236)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2C11CCCCC1)c1ccccc1
PDB

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n/an/a 300n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476723
PNG
(US10870651, Compound 111)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ccc(NC(=O)C=C)cc3)n[nH]c2C1(C)C)c1ccccc1
PDB

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n/an/a 300n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476756
PNG
(US10870651, Compound 246)
Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)nn(C)c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C29H34N6O4/c1-7-24(36)30-21-15-13-20(14-16-21)27(37)31-26-22-17-35(29(2,3)25(22)34(6)32-26)28(38)39-23(18-33(4)5)19-11-9-8-10-12-19/h7-16,23H,1,17-18H2,2-6H3,(H,30,36)(H,31,32,37)/t23-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476745
PNG
(US10870651, Compound 237 | US10870651, Compound 23...)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2[C@H]1c1ccccc1)c1ccccc1
PDB

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n/an/a>500n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476747
PNG
(US10870651, Compound 239 | US10870651, Compound 24...)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2[C@@H]1c1ccccc1)c1ccccc1
PDB

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n/an/a>500n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476752
PNG
(US10870651, Compound 242)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n(C)nc2C1(C)C)c1ccccc1
Show InChI InChI=1S/C29H35N7O3/c1-7-24(37)30-21-15-13-20(14-16-21)27(38)32-26-22-17-36(29(2,3)25(22)33-35(26)6)28(39)31-23(18-34(4)5)19-11-9-8-10-12-19/h7-16,23H,1,17-18H2,2-6H3,(H,30,37)(H,31,39)(H,32,38)/t23-/m1/s1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476753
PNG
(US10870651, Compound 243)
Show SMILES COc1cc(NC(=O)C=C)ccc1C(=O)Nc1nn(C)c2c1CN(C(=O)N[C@H](CN(C)C)c1ccccc1)C2(C)C
Show InChI InChI=1S/C30H37N7O4/c1-8-25(38)31-20-14-15-21(24(16-20)41-7)28(39)33-27-22-17-37(30(2,3)26(22)36(6)34-27)29(40)32-23(18-35(4)5)19-12-10-9-11-13-19/h8-16,23H,1,17-18H2,2-7H3,(H,31,38)(H,32,40)(H,33,34,39)/t23-/m1/s1
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Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476755
PNG
(US10870651, Compound 245)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)nn(C)c2C1(C)C
Show InChI InChI=1S/C24H33N7O3/c1-8-19(32)26-17-11-9-16(10-12-17)22(33)27-21-18-14-31(23(34)25-15(2)13-29(5)6)24(3,4)20(18)30(7)28-21/h8-12,15H,1,13-14H2,2-7H3,(H,25,34)(H,26,32)(H,27,28,33)
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n/an/a>500n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476754
PNG
(US10870651, Compound 244)
Show SMILES COc1cc(NC(=O)C=C)ccc1C(=O)Nc1c2CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C(C)(C)c2nn1C
Show InChI InChI=1S/C30H37N7O4/c1-8-25(38)31-20-14-15-21(24(16-20)41-7)28(39)33-27-22-17-37(30(2,3)26(22)34-36(27)6)29(40)32-23(18-35(4)5)19-12-10-9-11-13-19/h8-16,23H,1,17-18H2,2-7H3,(H,31,38)(H,32,40)(H,33,39)/t23-/m1/s1
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n/an/a>500n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476745
PNG
(US10870651, Compound 237 | US10870651, Compound 23...)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2[C@H]1c1ccccc1)c1ccccc1
PDB

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n/an/a>500n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476747
PNG
(US10870651, Compound 239 | US10870651, Compound 24...)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c2[C@@H]1c1ccccc1)c1ccccc1
PDB

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n/an/a>500n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM476743
PNG
(US10870651, Compound 235)
Show SMILES CC(C)[C@@H]1N(Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)n[nH]c12)C(=O)N[C@H](CN(C)C)c1ccccc1
PDB

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n/an/a>500n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase (MELK)


(Homo sapiens (Human))
BDBM476714
PNG
(US10870651, Compound 106)
Show SMILES CN(C)CCNC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C
Show InChI InChI=1S/C28H34N8O3/c1-6-23(37)30-19-12-10-18(11-13-19)26(38)32-21-9-7-8-20(16-21)31-25-22-17-36(27(39)29-14-15-35(4)5)28(2,3)24(22)33-34-25/h6-13,16H,1,14-15,17H2,2-5H3,(H,29,39)(H,30,37)(H,32,38)(H2,31,33,34)
PDB

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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 4


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase (MELK)


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

More data for this
Ligand-Target Pair
CDK9/Cyclin K


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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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
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

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


(Homo sapiens (Human))
BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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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
Compounds of the invention were assayed for activity against a variety of different kinases.


US Patent US10870651 (2020)

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