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Patent code US10308648

Compile Data Set for Download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395710
PNG
(N-((1S,3R)-3-((5-chloro-4-(1H-indol-3-yl)pyrimidin...)
Show SMILES CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C31H36ClN7O2/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/h3-4,9-10,12-15,18-19,22-23,33H,5-8,11,16-17H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/t22-,23+/s2
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n/an/a<100n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395706
PNG
((+/−)-4-amino-N-(3-(5-chloro-4-(1H-indol-3-y...)
Show SMILES Nc1ccc(cc1)C(=O)N[C@H]1C[C@H](O)C[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C25H25ClN6O2/c26-21-13-29-25(32-23(21)20-12-28-22-4-2-1-3-19(20)22)31-17-9-16(10-18(33)11-17)30-24(34)14-5-7-15(27)8-6-14/h1-8,12-13,16-18,28,33H,9-11,27H2,(H,30,34)(H,29,31,32)/t16-,17+,18+/s2
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n/an/a<100n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395712
PNG
(4-amino-N-((1S,3R)-3-(5-cyano-4-(1H-indol-3-yl)pyr...)
Show SMILES Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(C#N)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C26H25N7O/c27-13-17-14-30-26(33-24(17)22-15-29-23-7-2-1-6-21(22)23)32-20-5-3-4-19(12-20)31-25(34)16-8-10-18(28)11-9-16/h1-2,6-11,14-15,19-20,29H,3-5,12,28H2,(H,31,34)(H,30,32,33)/t19-,20+/s2
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n/an/a<100n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395711
PNG
( (1S,3R)óN-(4-aminophenyl)-3-(5-chloro-4-(1H-indol...)
Show SMILES Nc1ccc(NC(=O)[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1
Show InChI InChI=1/C25H25ClN6O/c26-21-14-29-25(32-23(21)20-13-28-22-7-2-1-6-19(20)22)31-18-5-3-4-15(12-18)24(33)30-17-10-8-16(27)9-11-17/h1-2,6-11,13-15,18,28H,3-5,12,27H2,(H,30,33)(H,29,31,32)/t15-,18+/s2
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n/an/a<100n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395717
PNG
(4-amino-N-((1S,3R)-3-(5-chloro-4-(1H-indol-3-yl)py...)
Show SMILES Nc1ccc(C(=O)N[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1
Show InChI InChI=1/C25H24ClFN6O/c26-20-13-30-25(33-23(20)19-12-29-22-7-2-1-6-17(19)22)32-16-5-3-4-15(11-16)31-24(34)18-9-8-14(28)10-21(18)27/h1-2,6-10,12-13,15-16,29H,3-5,11,28H2,(H,31,34)(H,30,32,33)/t15-,16+/s2
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n/an/a 550n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395709
PNG
(4-amino-N-(5-(5-chloro-4-(1H-indol-3-yl)pyrimidin-...)
Show SMILES Nc1ccc(cc1)C(=O)NC12CC(C1)(CCC2)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H25ClN6O/c27-20-13-30-24(31-22(20)19-12-29-21-5-2-1-4-18(19)21)33-26-11-3-10-25(14-26,15-26)32-23(34)16-6-8-17(28)9-7-16/h1-2,4-9,12-13,29H,3,10-11,14-15,28H2,(H,32,34)(H,30,31,33)
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n/an/a 550n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395707
PNG
(4-amino-N-((1S,3R)-3-(5-chloro-4-(1H-indol-3-yl)py...)
Show SMILES Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C25H25ClN6O/c26-21-14-29-25(32-23(21)20-13-28-22-7-2-1-6-19(20)22)31-18-5-3-4-17(12-18)30-24(33)15-8-10-16(27)11-9-15/h1-2,6-11,13-14,17-18,28H,3-5,12,27H2,(H,30,33)(H,29,31,32)/t17-,18+/s2
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n/an/a 550n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395718
PNG
(N1-(4-(((1S,3R)-3-((5-chloro-4-(1H-indol-3-yl)pyri...)
Show SMILES NC(=O)C(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C27H26ClN7O3/c28-21-14-31-27(35-23(21)20-13-30-22-7-2-1-6-19(20)22)34-18-5-3-4-17(12-18)33-25(37)15-8-10-16(11-9-15)32-26(38)24(29)36/h1-2,6-11,13-14,17-18,30H,3-5,12H2,(H2,29,36)(H,32,38)(H,33,37)(H,31,34,35)/t17-,18+/s2
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n/an/a 550n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395716
PNG
(4-amino-N-(1S,3R)-3-(5-chloro-4-(4H-indol-3-yl)pyr...)
Show SMILES Nc1ccc(cc1F)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C25H24ClFN6O/c26-19-13-30-25(33-23(19)18-12-29-22-7-2-1-6-17(18)22)32-16-5-3-4-15(11-16)31-24(34)14-8-9-21(28)20(27)10-14/h1-2,6-10,12-13,15-16,29H,3-5,11,28H2,(H,31,34)(H,30,32,33)/t15-,16+/s2
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n/an/a 550n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395715
PNG
((+/−)-4-amino-N-(3-(5-chloro-4-(1H-indol-3-y...)
Show SMILES Nc1ccc(cc1)C(=O)N[C@H]1C[C@@H](F)C[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C25H24ClFN6O/c26-21-13-30-25(33-23(21)20-12-29-22-4-2-1-3-19(20)22)32-18-10-15(27)9-17(11-18)31-24(34)14-5-7-16(28)8-6-14/h1-8,12-13,15,17-18,29H,9-11,28H2,(H,31,34)(H,30,32,33)/t15-,17+,18-/s2
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Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395714
PNG
(US10308648, Compound 109)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C24H25ClN6O2S/c25-21-14-28-24(30-23(21)20-13-27-22-7-2-1-6-19(20)22)29-16-4-3-5-17(12-16)31-34(32,33)18-10-8-15(26)9-11-18/h1-2,6-11,13-14,16-17,27,31H,3-5,12,26H2,(H,28,29,30)/t16-,17+/s2
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n/an/a 550n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395708
PNG
(4-amino-N-((1S,3R)-3-(5-cyclopropyl-4-(1H-indol-3-...)
Show SMILES Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(C2CC2)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C28H30N6O/c29-19-12-10-18(11-13-19)27(35)32-20-4-3-5-21(14-20)33-28-31-15-23(17-8-9-17)26(34-28)24-16-30-25-7-2-1-6-22(24)25/h1-2,6-7,10-13,15-17,20-21,30H,3-5,8-9,14,29H2,(H,32,35)(H,31,33,34)/t20-,21+/s2
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n/an/a 550n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395719
PNG
(N-((1S,3R)-3-(4-(1H-indol-3-yl)pyrimidin-2-ylamino...)
Show SMILES Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1nccc(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1/C25H26N6O/c26-17-10-8-16(9-11-17)24(32)29-18-4-3-5-19(14-18)30-25-27-13-12-23(31-25)21-15-28-22-7-2-1-6-20(21)22/h1-2,6-13,15,18-19,28H,3-5,14,26H2,(H,29,32)(H,27,30,31)/t18-,19+/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395713
PNG
(4-amino-N-((1S,3R)-3-(5-chloro-4-(pyridin-3-yl)pyr...)
Show SMILES Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1cccnc1
Show InChI InChI=1S/C22H23ClN6O/c23-19-13-26-22(29-20(19)15-3-2-10-25-12-15)28-18-5-1-4-17(11-18)27-21(30)14-6-8-16(24)9-7-14/h2-3,6-10,12-13,17-18H,1,4-5,11,24H2,(H,27,30)(H,26,28,29)/t17-,18+/m0/s1
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Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395705
PNG
(4-amino-N-(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-...)
Show SMILES O=C(NC12CC3CC(C1)CC(C3)(C2)NC(=O)OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H30N2O4/c29-23(31-16-19-7-3-1-4-8-19)27-25-12-21-11-22(13-25)15-26(14-21,18-25)28-24(30)32-17-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2,(H,27,29)(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Syros Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase ...


US Patent US10308648 (2019)

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