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Compile Data Set for Download or QSAR

Found 17 hits of kd for UniProtKB: P51946   
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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50505542
PNG
(CHEMBL4576489)
Show SMILES [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
Show InChI InChI=1S/C50H56BF2N7O7/c1-30-26-31(2)59-39(30)27-33-15-14-32(60(33)51(59,52)53)16-17-41(61)54-18-20-64-22-24-66-25-23-65-21-19-56(4)40-28-42-57-37-12-8-6-10-34(37)44-45-36(29-55-49(45)62)43-35-11-7-9-13-38(35)58(47(43)46(44)57)50(3,67-42)48(40)63-5/h6-15,26-27,40,42,48H,16-25,28-29H2,1-5H3,(H,54,61)(H,55,62)/t40-,42-,48-,50+/m1/s1
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n/an/an/a 819n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal GST-tagged and N-terminal GST-tagged CDK7/cyclinH/MAT1 expressed in baculovirus expressi...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126641
BindingDB Entry DOI: 10.7270/Q2RV0S0K
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583929
PNG
(SY-5609 | SY5609 | Sy 5609 | Sy-5609)
Show SMILES CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
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MCE
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n/an/an/a 0.0700n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50526790
PNG
(CHEMBL4555799)
Show SMILES Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C17H18ClN5/c18-14-10-21-17(22-11-4-3-7-19-8-11)23-16(14)13-9-20-15-6-2-1-5-12(13)15/h1-2,5-6,9-11,19-20H,3-4,7-8H2,(H,21,22,23)/t11-/m0/s1
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n/an/an/a 0.330n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583916
PNG
(CHEMBL4786320)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
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n/an/an/a 0.150n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583917
PNG
(CHEMBL4800180)
Show SMILES CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
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n/an/an/a 0.400n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583918
PNG
(CHEMBL4791134)
Show SMILES CS(=O)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
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n/an/an/a 0.0700n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583919
PNG
(CHEMBL5083688)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)C#N |r|
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n/an/an/a 0.0900n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583920
PNG
(CHEMBL4786843)
Show SMILES CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|
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n/an/an/a 0.340n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583921
PNG
(CHEMBL4779443)
Show SMILES CS(=O)(=O)c1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
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n/an/an/a 0.100n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583922
PNG
(CHEMBL4786555)
Show SMILES CC1(C)CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|
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n/an/an/a 0.210n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583923
PNG
(CHEMBL4786592)
Show SMILES CP(C)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
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n/an/an/a 0.0800n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583924
PNG
(CHEMBL4790490)
Show SMILES Cc1noc(C)c1-c1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
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n/an/an/a 0.100n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583925
PNG
(CHEMBL4782954)
Show SMILES CS(=O)(=O)c1c(ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F)C#N |r|
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n/an/an/a 0.0800n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583926
PNG
(CHEMBL4798916)
Show SMILES CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(c(ccc12)C#N)S(C)(=O)=O |r|
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n/an/an/a 0.150n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583927
PNG
(CHEMBL5088381)
Show SMILES Cl.Cc1noc(C)c1-c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
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n/an/an/a 0.0300n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583928
PNG
(CHEMBL5080711)
Show SMILES CC1(C)CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
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n/an/an/a 0.0600n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50505541
PNG
(CHEMBL4465866)
Show SMILES [H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
Show InChI InChI=1S/C49H54BF2N7O7/c1-29-25-30(2)58-39(29)26-32-14-13-31(59(32)50(58,51)52)15-16-40(60)54-18-20-64-22-24-65-23-21-63-19-17-53-36-27-41-56-37-11-7-5-9-33(37)43-44-35(28-55-48(44)61)42-34-10-6-8-12-38(34)57(46(42)45(43)56)49(3,66-41)47(36)62-4/h5-14,25-26,36,41,47,53H,15-24,27-28H2,1-4H3,(H,54,60)(H,55,61)/t36-,41-,47-,49+/m1/s1
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n/an/an/a 894n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal GST-tagged and N-terminal GST-tagged CDK7/cyclinH/MAT1 expressed in baculovirus expressi...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126641
BindingDB Entry DOI: 10.7270/Q2RV0S0K
More data for this
Ligand-Target Pair