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Compile Data Set for Download or QSAR

Found 1856 hits of ic50 for UniProtKB: P50613   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50526793
PNG
(CHEMBL4562323)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12
Show InChI InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)
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n/an/a 0.130n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 0.623n/an/an/an/an/an/a


TBA

Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 0.623n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a 0.623n/an/an/an/an/an/a


TBA

Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 0.623n/an/an/an/an/an/a


TBA

Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.996n/an/an/an/an/an/a


TBA

Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM139540
PNG
(US10189849, staurosporine | US10307427, Staurospor...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a 0.996n/an/an/an/an/an/a


TBA

Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.996n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50539763
PNG
(Adagrasib | Mrtx-849 | Mrtx849)
Show SMILES CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12
Show InChI InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00216g
BindingDB Entry DOI: 10.7270/Q2DF6W53
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50553499
PNG
(CHEMBL4754493)
Show SMILES Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)|
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50553499
PNG
(CHEMBL4754493)
Show SMILES Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Ability to displace [3H]glycine from strychnine-insensitive glycine receptor


Citation and Details
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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n/an/a 1.38n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r,wU:27.31,13.14,4.7,wD:21.23,1.0,(5.09,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|
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n/an/a 1.41n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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n/an/a 1.66n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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
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n/an/a 1.78n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50193093
PNG
(RGB-286638)
Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)
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n/an/a 2n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H (unknown origin)


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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n/an/a 2.09n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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n/an/a 2.14n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r,wU:28.32,14.15,5.8,wD:22.24,2.1,(6.42,-7.66,;5.09,-6.89,;3.75,-7.66,;2.42,-6.89,;1.08,-7.66,;1.08,-9.2,;2.42,-9.97,;3.75,-9.2,;-.25,-9.97,;-1.58,-9.2,;-2.92,-9.97,;-4.25,-9.2,;-4.25,-7.66,;-5.58,-6.89,;-5.58,-5.35,;-6.92,-4.58,;-4.25,-4.58,;-2.92,-5.35,;-2.92,-6.89,;-1.58,-7.66,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r,wU:30.34,1.0,8.7,wD:24.26,11.14,(-6.92,-4.58,;-5.58,-5.35,;-5.58,-6.89,;-4.25,-7.66,;-4.25,-9.2,;-2.92,-9.97,;-1.58,-9.2,;-.25,-9.97,;1.08,-9.2,;1.08,-7.66,;2.42,-6.89,;3.75,-7.66,;3.75,-9.2,;2.42,-9.97,;5.08,-6.89,;6.42,-7.66,;6.42,-9.2,;7.75,-6.89,;-1.58,-7.66,;-2.92,-6.89,;-2.92,-5.35,;-4.25,-4.58,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50363196
PNG
(CHEMBL1944698)
Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
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University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His6-tagged CDK7/cyclin H/N-terminal GST-tagged MAT1 expressed in baculovirus infected Sf21 in...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50593925
PNG
(CHEMBL5196685)
Show SMILES CN(C)\C=C\CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cc3ccccc3[nH]2)c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02190
BindingDB Entry DOI: 10.7270/Q2BV7MPD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(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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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human CDK7 in presence of ATP


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(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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TBA

Assay Description
Inhibition of human CDK7 incubated for 180 mins by LanthaScreen Eu Kinase binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00766
BindingDB Entry DOI: 10.7270/Q2GX4G9M
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r,wU:27.31,8.7,1.0,wD:21.23,11.11,(-6.92,-4.58,;-5.58,-5.35,;-5.58,-6.89,;-4.25,-7.66,;-4.25,-9.2,;-2.92,-9.97,;-1.58,-9.2,;-.25,-9.97,;1.08,-9.2,;1.08,-7.66,;2.42,-6.89,;3.75,-7.66,;5.08,-6.89,;3.75,-9.2,;2.42,-9.97,;-1.58,-7.66,;-2.92,-6.89,;-2.92,-5.35,;-4.25,-4.58,;-4.25,-3.04,;-5.58,-2.27,;-2.92,-2.27,;-1.58,-3.04,;-.25,-2.27,;-.25,-.73,;1.08,.04,;-1.58,.04,;-2.92,-.73,;-4.25,.04,;-4.25,1.58,;-5.58,2.35,;-6.92,1.58,;-6.92,.04,;-5.58,-.73,)|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022064009
n/an/a 3.24n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022064009
n/an/a 3.24n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022064009
n/an/a 3.31n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022064009
n/an/a 3.31n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r,c:13|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022064009
n/an/a 3.55n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022064009
n/an/a 3.63n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022064009
n/an/a 3.72n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(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 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022064009
n/an/a 3.80n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MC936B
More data for this
Ligand-Target Pair
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