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Patent code WO2022064009

Compile Data Set for Download or QSAR

Found 299 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))
BDBM530357
PNG
(WO2022064009, Compound 136 | WO2022064009, Compoun...)
Show SMILES C[C@@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cccc(C)c1
Show InChI InChI=1S/C27H35N7O/c1-18-6-5-7-20(12-18)24-16-32(3)10-9-23(24)26(35)34-17-25-21(13-19(34)2)14-28-27(30-25)29-15-22-8-11-33(4)31-22/h5-8,11-12,14,19,23-24H,9-10,13,15-17H2,1-4H3,(H,28,29,30)/t19-,23-,24+/m1/s1
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WIPO WO2022064009
n/an/a 1.38n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530269
PNG
(WO2022064009, Compound 13)
Show SMILES C[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H39N5O/c1-19-9-11-23(12-10-19)30-28-29-16-22-15-20(2)33(18-26(22)31-28)27(34)24-13-14-32(3)17-25(24)21-7-5-4-6-8-21/h4-8,16,19-20,23-25H,9-15,17-18H2,1-3H3,(H,29,30,31)/t19-,20-,23-,24+,25-/m1/s1
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WIPO WO2022064009
n/an/a 1.41n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530396
PNG
(WO2022064009, Compound 173)
Show SMILES C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=N)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H34N6/c1-20-15-23-17-31-28(30-16-21-9-5-3-6-10-21)32-26(23)19-34(20)27(29)24-13-14-33(2)18-25(24)22-11-7-4-8-12-22/h3-12,17,20,24-25,29H,13-16,18-19H2,1-2H3,(H,30,31,32)/t20-,24+,25-/m1/s1
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WIPO WO2022064009
n/an/a 1.66n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530309
PNG
(WO2022064009, Compound 70)
Show SMILES C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H33N5O/c1-20-15-23-17-30-28(29-16-21-9-5-3-6-10-21)31-26(23)19-33(20)27(34)24-13-14-32(2)18-25(24)22-11-7-4-8-12-22/h3-12,17,20,24-25H,13-16,18-19H2,1-2H3,(H,29,30,31)/t20-,24+,25-/m1/s1
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WIPO WO2022064009
n/an/a 1.78n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530370
PNG
(WO2022064009, Compound 180a)
Show SMILES C[C@H]1CN([C@H](C)c2nc(NC3CCOCC3)ncc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H37N5O2/c1-18-16-32(26(33)22-9-12-31(3)17-24(22)20-7-5-4-6-8-20)19(2)25-23(18)15-28-27(30-25)29-21-10-13-34-14-11-21/h4-8,15,18-19,21-22,24H,9-14,16-17H2,1-3H3,(H,28,29,30)/t18-,19+,22-,24+/m0/s1
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WIPO WO2022064009
n/an/a 2.09n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530318
PNG
(WO2022064009, Compound 82 | WO2022064009, Compound...)
Show SMILES C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H31N7O/c1-17-11-19-12-26-25(28-20-13-27-31(3)14-20)29-23(19)16-32(17)24(33)21-9-10-30(2)15-22(21)18-7-5-4-6-8-18/h4-8,12-14,17,21-22H,9-11,15-16H2,1-3H3,(H,26,28,29)/t17-,21+,22-/m1/s1
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WIPO WO2022064009
n/an/a 2.14n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530318
PNG
(WO2022064009, Compound 82 | WO2022064009, Compound...)
Show SMILES C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H31N7O/c1-17-11-19-12-26-25(28-20-13-27-31(3)14-20)29-23(19)16-32(17)24(33)21-9-10-30(2)15-22(21)18-7-5-4-6-8-18/h4-8,12-14,17,21-22H,9-11,15-16H2,1-3H3,(H,26,28,29)/t17-,21+,22-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.14n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530249
PNG
(WO2022064009, Compound 5)
Show SMILES C[C@@H]1Cc2cnc(N[C@H]3CCN(C)C(=O)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H36N6O2/c1-18-13-20-15-28-27(29-21-9-12-32(3)25(34)14-21)30-24(20)17-33(18)26(35)22-10-11-31(2)16-23(22)19-7-5-4-6-8-19/h4-8,15,18,21-23H,9-14,16-17H2,1-3H3,(H,28,29,30)/t18-,21+,22+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.14n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530297
PNG
(WO2022064009, Compound 58)
Show SMILES CCn1ccc(CNc2ncc3C[C@@H](C)N(Cc3n2)C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)n1
Show InChI InChI=1S/C27H35N7O/c1-4-33-13-10-22(31-33)16-29-27-28-15-21-14-19(2)34(18-25(21)30-27)26(35)23-11-12-32(3)17-24(23)20-8-6-5-7-9-20/h5-10,13,15,19,23-24H,4,11-12,14,16-18H2,1-3H3,(H,28,29,30)/t19-,23+,24-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.34n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530245
PNG
(WO2022064009, Compound 1 | WO2022064009, Compound ...)
Show SMILES C[C@@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H33N7O/c1-18-13-20-14-27-26(28-15-21-9-12-32(3)30-21)29-24(20)17-33(18)25(34)22-10-11-31(2)16-23(22)19-7-5-4-6-8-19/h4-9,12,14,18,22-23H,10-11,13,15-17H2,1-3H3,(H,27,28,29)/t18-,22+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.45n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530266
PNG
(WO2022064009, Compound 154 | WO2022064009, Compoun...)
Show SMILES C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H33N5O/c1-20-15-23-17-30-28(29-16-21-9-5-3-6-10-21)31-26(23)19-33(20)27(34)24-13-14-32(2)18-25(24)22-11-7-4-8-12-22/h3-12,17,20,24-25H,13-16,18-19H2,1-2H3,(H,29,30,31)/t20-,24+,25-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.51n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530260
PNG
(WO2022064009, Compound 37)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H39N5O2/c1-19-15-21-16-29-28(30-22-9-11-23(35-3)12-10-22)31-26(21)18-33(19)27(34)24-13-14-32(2)17-25(24)20-7-5-4-6-8-20/h4-8,16,19,22-25H,9-15,17-18H2,1-3H3,(H,29,30,31)/t19-,22-,23-,24+,25-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.51n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530397
PNG
(WO2022064009, Compound 174)
Show SMILES C[C@H]1Cc2cnc(NCc3ccn(C)n3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H33N7O/c1-18-13-20-14-27-26(28-15-21-9-12-32(3)30-21)29-24(20)17-33(18)25(34)22-10-11-31(2)16-23(22)19-7-5-4-6-8-19/h4-9,12,14,18,22-23H,10-11,13,15-17H2,1-3H3,(H,27,28,29)/t18-,22-,23+/m0/s1
PDB

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WIPO WO2022064009
n/an/a 2.63n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530383
PNG
(WO2022064009, Compound 160)
Show SMILES CC(C)N1CC[C@@H]([C@H](C1)c1cccc(Cl)c1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2C[C@H]1C
Show InChI InChI=1S/C28H38ClN5O2/c1-18(2)33-10-7-24(25(16-33)20-5-4-6-22(29)14-20)27(35)34-17-26-21(13-19(34)3)15-30-28(32-26)31-23-8-11-36-12-9-23/h4-6,14-15,18-19,23-25H,7-13,16-17H2,1-3H3,(H,30,31,32)/t19-,24+,25-/m1/s1
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WIPO WO2022064009
n/an/a 2.63n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530252
PNG
(WO2022064009, Compound 8)
Show SMILES C[C@@H]1Cc2cnc(N[C@@H]3CCOC4(CCC4)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C29H39N5O2/c1-20-15-22-17-30-28(31-23-10-14-36-29(16-23)11-6-12-29)32-26(22)19-34(20)27(35)24-9-13-33(2)18-25(24)21-7-4-3-5-8-21/h3-5,7-8,17,20,23-25H,6,9-16,18-19H2,1-2H3,(H,30,31,32)/t20-,23-,24+,25-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.69n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530308
PNG
(WO2022064009, Compound 69)
Show SMILES C[C@@H]1Cc2cnc(N[C@H]3CC[C@@H](CC3)OC(F)F)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H37F2N5O2/c1-18-14-20-15-31-28(32-21-8-10-22(11-9-21)37-27(29)30)33-25(20)17-35(18)26(36)23-12-13-34(2)16-24(23)19-6-4-3-5-7-19/h3-7,15,18,21-24,27H,8-14,16-17H2,1-2H3,(H,31,32,33)/t18-,21-,22-,23+,24-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.69n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530305
PNG
(WO2022064009, Compound 66)
Show SMILES CC(C)n1ccc(CNc2ncc3C[C@@H](C)N(Cc3n2)C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)n1
Show InChI InChI=1S/C28H37N7O/c1-19(2)35-13-10-23(32-35)16-30-28-29-15-22-14-20(3)34(18-26(22)31-28)27(36)24-11-12-33(4)17-25(24)21-8-6-5-7-9-21/h5-10,13,15,19-20,24-25H,11-12,14,16-18H2,1-4H3,(H,29,30,31)/t20-,24+,25-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.75n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530401
PNG
(WO2022064009, Compound 188)
Show SMILES C[C@@H]1CN(Cc2nc(NC3CCOCC3)ncc12)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H35N5O2/c1-18-15-31(17-24-22(18)14-27-26(29-24)28-20-9-12-33-13-10-20)25(32)21-8-11-30(2)16-23(21)19-6-4-3-5-7-19/h3-7,14,18,20-21,23H,8-13,15-17H2,1-2H3,(H,27,28,29)/t18-,21+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.82n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530280
PNG
(WO2022064009, Compound 29)
Show SMILES C[C@@H]1Cc2cnc(NC3Cc4ccccc4C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C30H35N5O/c1-20-14-24-17-31-30(32-25-15-22-10-6-7-11-23(22)16-25)33-28(24)19-35(20)29(36)26-12-13-34(2)18-27(26)21-8-4-3-5-9-21/h3-11,17,20,25-27H,12-16,18-19H2,1-2H3,(H,31,32,33)/t20-,26+,27-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.82n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530310
PNG
(WO2022064009, Compound 71)
Show SMILES C[C@@H]1Cc2cnc(N[C@@H](CO)c3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C29H35N5O2/c1-20-15-23-16-30-29(32-27(19-35)22-11-7-4-8-12-22)31-26(23)18-34(20)28(36)24-13-14-33(2)17-25(24)21-9-5-3-6-10-21/h3-12,16,20,24-25,27,35H,13-15,17-19H2,1-2H3,(H,30,31,32)/t20-,24+,25-,27+/m1/s1
PDB

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WIPO WO2022064009
n/an/a 2.88n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530335
PNG
(WO2022064009, Compound 120 | WO2022064009, Compoun...)
Show SMILES C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccc(F)cc1
Show InChI InChI=1S/C26H34FN5O2/c1-17-13-19-14-28-26(29-21-8-11-34-12-9-21)30-24(19)16-32(17)25(33)22-7-10-31(2)15-23(22)18-3-5-20(27)6-4-18/h3-6,14,17,21-23H,7-13,15-16H2,1-2H3,(H,28,29,30)/t17-,22+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.02n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530356
PNG
(WO2022064009, Compound 134)
Show SMILES C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(C)c1
Show InChI InChI=1S/C27H37N5O2/c1-18-5-4-6-20(13-18)24-16-31(3)10-7-23(24)26(33)32-17-25-21(14-19(32)2)15-28-27(30-25)29-22-8-11-34-12-9-22/h4-6,13,15,19,22-24H,7-12,14,16-17H2,1-3H3,(H,28,29,30)/t19-,23+,24-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.16n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530337
PNG
(WO2022064009, Compound 122b)
Show SMILES C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C26H33ClFN5O2/c1-16-11-18-13-29-26(30-19-6-9-35-10-7-19)31-24(18)15-33(16)25(34)20-5-8-32(2)14-21(20)17-3-4-22(27)23(28)12-17/h3-4,12-13,16,19-21H,5-11,14-15H2,1-2H3,(H,29,30,31)/t16-,20+,21-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.16n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530369
PNG
(WO2022064009, Compound 150)
Show SMILES CCN1CC[C@@H]([C@H](C1)c1cccc(C)c1)C(=O)N1Cc2nc(NCc3ccn(C)n3)ncc2C[C@H]1C
Show InChI InChI=1S/C28H37N7O/c1-5-34-12-10-24(25(17-34)21-8-6-7-19(2)13-21)27(36)35-18-26-22(14-20(35)3)15-29-28(31-26)30-16-23-9-11-33(4)32-23/h6-9,11,13,15,20,24-25H,5,10,12,14,16-18H2,1-4H3,(H,29,30,31)/t20-,24+,25-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.16n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530256
PNG
(WO2022064009, Compound 12)
Show SMILES C[C@@H]1Cc2cnc(N[C@H]3CC[C@H](O)CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H37N5O2/c1-18-14-20-15-28-27(29-21-8-10-22(33)11-9-21)30-25(20)17-32(18)26(34)23-12-13-31(2)16-24(23)19-6-4-3-5-7-19/h3-7,15,18,21-24,33H,8-14,16-17H2,1-2H3,(H,28,29,30)/t18-,21-,22-,23+,24-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.24n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530286
PNG
(WO2022064009, Compound 156 | WO2022064009, Compoun...)
Show SMILES C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H35N5O2/c1-18-14-20-15-27-26(28-21-9-12-33-13-10-21)29-24(20)17-31(18)25(32)22-8-11-30(2)16-23(22)19-6-4-3-5-7-19/h3-7,15,18,21-23H,8-14,16-17H2,1-2H3,(H,27,28,29)/t18-,22+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.24n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530424
PNG
(WO2022064009, Compound 210)
Show SMILES C[C@@H]1Cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H39N7O3S/c1-20-16-22-17-29-27(30-23-10-12-33(13-11-23)39(37,38)24-8-9-24)31-25(22)18-35(20)28(36)34-15-14-32(2)19-26(34)21-6-4-3-5-7-21/h3-7,17,20,23-24,26H,8-16,18-19H2,1-2H3,(H,29,30,31)/t20-,26-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.31n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530423
PNG
(WO2022064009, Compound 209)
Show SMILES C[C@@H]1Cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H37N7O3S/c1-19-15-21-16-27-25(28-22-9-11-31(12-10-22)37(3,35)36)29-23(21)17-33(19)26(34)32-14-13-30(2)18-24(32)20-7-5-4-6-8-20/h4-8,16,19,22,24H,9-15,17-18H2,1-3H3,(H,27,28,29)/t19-,24-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.31n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530299
PNG
(WO2022064009, Compound 60)
Show SMILES C[C@@H]1Cc2cnc(NCC3CN(C)C=C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H36N6O/c1-19-13-22-15-29-27(28-14-20-9-11-31(2)16-20)30-25(22)18-33(19)26(34)23-10-12-32(3)17-24(23)21-7-5-4-6-8-21/h4-9,11,15,19-20,23-24H,10,12-14,16-18H2,1-3H3,(H,28,29,30)/t19-,20?,23+,24-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.55n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530354
PNG
(WO2022064009, Compound 132)
Show SMILES C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN5O2/c1-17-13-19-14-28-26(29-21-8-11-34-12-9-21)30-24(19)16-32(17)25(33)22-7-10-31(2)15-23(22)18-3-5-20(27)6-4-18/h3-6,14,17,21-23H,7-13,15-16H2,1-2H3,(H,28,29,30)/t17-,22+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.63n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530339
PNG
(WO2022064009, Compound 126)
Show SMILES C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(C)c1
Show InChI InChI=1S/C26H33N7O/c1-17-6-5-7-19(10-17)23-15-31(3)9-8-22(23)25(34)33-16-24-20(11-18(33)2)12-27-26(30-24)29-21-13-28-32(4)14-21/h5-7,10,12-14,18,22-23H,8-9,11,15-16H2,1-4H3,(H,27,29,30)/t18-,22+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.72n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530250
PNG
(WO2022064009, Compound 6)
Show SMILES C[C@@H]1Cc2cnc(N[C@@H]3CCC(=O)N(C)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H36N6O2/c1-18-13-20-14-28-27(29-21-9-10-25(34)32(3)15-21)30-24(20)17-33(18)26(35)22-11-12-31(2)16-23(22)19-7-5-4-6-8-19/h4-8,14,18,21-23H,9-13,15-17H2,1-3H3,(H,28,29,30)/t18-,21-,22+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 3.80n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530316
PNG
(WO2022064009, Compound 78)
Show SMILES C[C@@H]1Cc2cnc(Nc3ccnc(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H32N6O/c1-18-13-22(9-11-28-18)30-27-29-15-21-14-19(2)33(17-25(21)31-27)26(34)23-10-12-32(3)16-24(23)20-7-5-4-6-8-20/h4-9,11,13,15,19,23-24H,10,12,14,16-17H2,1-3H3,(H,28,29,30,31)/t19-,23+,24-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 4.27n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530377
PNG
(WO2022064009, Compound 152)
Show SMILES C[C@@H]1Cc2cnc(NCc3ccccc3)nc2CN1C(=O)[C@H]1CCN(CCO)C[C@@H]1c1cccc(C)c1
Show InChI InChI=1S/C30H37N5O2/c1-21-7-6-10-24(15-21)27-19-34(13-14-36)12-11-26(27)29(37)35-20-28-25(16-22(35)2)18-32-30(33-28)31-17-23-8-4-3-5-9-23/h3-10,15,18,22,26-27,36H,11-14,16-17,19-20H2,1-2H3,(H,31,32,33)/t22-,26+,27-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 4.37n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530251
PNG
(WO2022064009, Compound 7)
Show SMILES C[C@@H]1Cc2cnc(N[C@H]3CCC(=O)N(C)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H36N6O2/c1-18-13-20-14-28-27(29-21-9-10-25(34)32(3)15-21)30-24(20)17-33(18)26(35)22-11-12-31(2)16-23(22)19-7-5-4-6-8-19/h4-8,14,18,21-23H,9-13,15-17H2,1-3H3,(H,28,29,30)/t18-,21+,22+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 4.47n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530301
PNG
(WO2022064009, Compound 62 | WO2022064009, Compound...)
Show SMILES C[C@@H]1Cc2cnc(NC[C@@H]3CCOC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H35N5O2/c1-18-12-21-14-28-26(27-13-19-9-11-33-17-19)29-24(21)16-31(18)25(32)22-8-10-30(2)15-23(22)20-6-4-3-5-7-20/h3-7,14,18-19,22-23H,8-13,15-17H2,1-2H3,(H,27,28,29)/t18-,19+,22+,23-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 4.68n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530426
PNG
(WO2022064009, Compound 212)
Show SMILES C[C@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)N1CCN(C)C[C@H]1c1cccc(F)c1
Show InChI InChI=1S/C25H33FN6O2/c1-17-12-19-14-27-24(28-21-6-10-34-11-7-21)29-22(19)15-32(17)25(33)31-9-8-30(2)16-23(31)18-4-3-5-20(26)13-18/h3-5,13-14,17,21,23H,6-12,15-16H2,1-2H3,(H,27,28,29)/t17-,23-/m0/s1
PDB

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WIPO WO2022064009
n/an/a 4.79n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530342
PNG
(WO2022064009, Compound 129)
Show SMILES C[C@@H]1Cc2cnc(Nc3cnn(C)c3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F3N7O/c1-16-9-18-11-30-25(32-20-12-31-35(3)13-20)33-23(18)15-36(16)24(37)21-7-8-34(2)14-22(21)17-5-4-6-19(10-17)26(27,28)29/h4-6,10-13,16,21-22H,7-9,14-15H2,1-3H3,(H,30,32,33)/t16-,21+,22-/m1/s1
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WIPO WO2022064009
n/an/a 4.90n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530408
PNG
(WO2022064009, Compound 195b)
Show SMILES C[C@@H]1Cc2cnc(NC3CCOCC3)nc2[C@H](C)N1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H37N5O2/c1-18-15-21-16-28-27(29-22-10-13-34-14-11-22)30-25(21)19(2)32(18)26(33)23-9-12-31(3)17-24(23)20-7-5-4-6-8-20/h4-8,16,18-19,22-24H,9-15,17H2,1-3H3,(H,28,29,30)/t18-,19+,23+,24-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 4.90n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530247
PNG
(WO2022064009, Compound 3)
Show SMILES C[C@@H]1Cc2cnc(NC3CC[C@@H](CC3)OCC3CC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C31H43N5O2/c1-21-16-24-17-32-31(33-25-10-12-26(13-11-25)38-20-22-8-9-22)34-29(24)19-36(21)30(37)27-14-15-35(2)18-28(27)23-6-4-3-5-7-23/h3-7,17,21-22,25-28H,8-16,18-20H2,1-2H3,(H,32,33,34)/t21-,25?,26-,27+,28-/m1/s1
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WIPO WO2022064009
n/an/a 5.01n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530262
PNG
(WO2022064009, Compound 39)
Show SMILES C[C@@H]1Cc2cnc(N[C@H]3CCOC(C)(C)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H39N5O2/c1-19-14-21-16-29-27(30-22-11-13-35-28(2,3)15-22)31-25(21)18-33(19)26(34)23-10-12-32(4)17-24(23)20-8-6-5-7-9-20/h5-9,16,19,22-24H,10-15,17-18H2,1-4H3,(H,29,30,31)/t19-,22+,23+,24-/m1/s1
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WIPO WO2022064009
n/an/a 5.01n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530286
PNG
(WO2022064009, Compound 156 | WO2022064009, Compoun...)
Show SMILES C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H35N5O2/c1-18-14-20-15-27-26(28-21-9-12-33-13-10-21)29-24(20)17-31(18)25(32)22-8-11-30(2)16-23(22)19-6-4-3-5-7-19/h3-7,15,18,21-23H,8-14,16-17H2,1-2H3,(H,27,28,29)/t18-,22+,23-/m1/s1
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WIPO WO2022064009
n/an/a 5.01n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530293
PNG
(WO2022064009, Compound 54)
Show SMILES C[C@H](Nc1ncc2C[C@@H](C)N(Cc2n1)C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1)c1ccn(C)n1
Show InChI InChI=1S/C27H35N7O/c1-18-14-21-15-28-27(29-19(2)24-11-13-33(4)31-24)30-25(21)17-34(18)26(35)22-10-12-32(3)16-23(22)20-8-6-5-7-9-20/h5-9,11,13,15,18-19,22-23H,10,12,14,16-17H2,1-4H3,(H,28,29,30)/t18-,19+,22+,23-/m1/s1
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WIPO WO2022064009
n/an/a 5.13n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530298
PNG
(WO2022064009, Compound 59)
Show SMILES C[C@@H]1Cc2cnc(N[C@H]3CCC[C@H](O)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H37N5O2/c1-18-13-20-15-28-27(29-21-9-6-10-22(33)14-21)30-25(20)17-32(18)26(34)23-11-12-31(2)16-24(23)19-7-4-3-5-8-19/h3-5,7-8,15,18,21-24,33H,6,9-14,16-17H2,1-2H3,(H,28,29,30)/t18-,21+,22+,23+,24-/m1/s1
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WIPO WO2022064009
n/an/a 5.25n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530410
PNG
(WO2022064009, Compound 199)
Show SMILES CN1CC[C@@H]([C@H](C1)c1ccccc1)C(=O)N1Cc2nc(NC3CCOCC3)ncc2[C@@H]2C[C@H]12
Show InChI InChI=1S/C26H33N5O2/c1-30-10-7-19(22(15-30)17-5-3-2-4-6-17)25(32)31-16-23-21(20-13-24(20)31)14-27-26(29-23)28-18-8-11-33-12-9-18/h2-6,14,18-20,22,24H,7-13,15-16H2,1H3,(H,27,28,29)/t19-,20-,22+,24-/m0/s1
PDB

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WIPO WO2022064009
n/an/a 5.37n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530414
PNG
(WO2022064009, Compound 203)
Show SMILES CN1CC[C@@H]([C@H](C1)c1cccc(C)c1)C(=O)N1Cc2nc(Nc3cnn(C)c3)ncc2[C@@H]2C[C@H]12
Show InChI InChI=1S/C26H31N7O/c1-16-5-4-6-17(9-16)22-14-31(2)8-7-19(22)25(34)33-15-23-21(20-10-24(20)33)12-27-26(30-23)29-18-11-28-32(3)13-18/h4-6,9,11-13,19-20,22,24H,7-8,10,14-15H2,1-3H3,(H,27,29,30)/t19-,20-,22+,24-/m0/s1
PDB

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WIPO WO2022064009
n/an/a 5.37n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530312
PNG
(WO2022064009, Compound 73)
Show SMILES CC(C1CC1)n1cc(Nc2ncc3C[C@@H](C)N(Cc3n2)C(=O)[C@H]2CCN(C)C[C@@H]2c2ccccc2)cn1
Show InChI InChI=1S/C29H37N7O/c1-19-13-23-14-30-29(32-24-15-31-36(16-24)20(2)21-9-10-21)33-27(23)18-35(19)28(37)25-11-12-34(3)17-26(25)22-7-5-4-6-8-22/h4-8,14-16,19-21,25-26H,9-13,17-18H2,1-3H3,(H,30,32,33)/t19-,20?,25+,26-/m1/s1
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WIPO WO2022064009
n/an/a 5.75n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530394
PNG
(WO2022064009, Compound 171a)
Show SMILES C[C@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H35N5O2/c1-18-14-20-15-27-26(28-21-9-12-33-13-10-21)29-24(20)17-31(18)25(32)22-8-11-30(2)16-23(22)19-6-4-3-5-7-19/h3-7,15,18,21-23H,8-14,16-17H2,1-2H3,(H,27,28,29)/t18-,22-,23+/m0/s1
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WIPO WO2022064009
n/an/a 5.75n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530311
PNG
(WO2022064009, Compound 72)
Show SMILES C[C@@H]1Cc2cnc(N[C@H](CO)c3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C29H35N5O2/c1-20-15-23-16-30-29(32-27(19-35)22-11-7-4-8-12-22)31-26(23)18-34(20)28(36)24-13-14-33(2)17-25(24)21-9-5-3-6-10-21/h3-12,16,20,24-25,27,35H,13-15,17-19H2,1-2H3,(H,30,31,32)/t20-,24+,25-,27-/m1/s1
PDB

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WIPO WO2022064009
n/an/a 6.03n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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


(Homo sapiens (Human))
BDBM530253
PNG
(WO2022064009, Compound 9)
Show SMILES C[C@@H]1Cc2cnc(N[C@H]3CCOC4(CCC4)C3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C29H39N5O2/c1-20-15-22-17-30-28(31-23-10-14-36-29(16-23)11-6-12-29)32-26(22)19-34(20)27(35)24-9-13-33(2)18-25(24)21-7-4-3-5-8-21/h3-5,7-8,17,20,23-25H,6,9-16,18-19H2,1-2H3,(H,30,31,32)/t20-,23+,24+,25-/m1/s1
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WIPO WO2022064009
n/an/a 6.17n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

WIPO


Assay Description
Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT...


WIPO WO2022064009 (2022)

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