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Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'marineau' and Initial = 'jj'   
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 12


(Homo sapiens)
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/a 15n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 21n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 23n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
BDBM50583916
PNG
(CHEMBL4786320)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
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n/an/a 24n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 29n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 32n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 33n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 36n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 41n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 42n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 52n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 60n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 60n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 69n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 71n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 75n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 78n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 86n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 90n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 95n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-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 |r|
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n/an/a<100n/an/an/an/an/an/a



NIH



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


Bioorg Med Chem Lett 18: 1297-303 (2008)


BindingDB Entry DOI: 10.7270/Q2RR21KT
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 |r|
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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 AdaptaŽ kinase ...


US Patent US10865206 (2020)


BindingDB Entry DOI: 10.7270/Q2736V0F
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395711
PNG
( (1S,3R)—N-(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 |r|
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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 AdaptaŽ kinase ...


US Patent US10865206 (2020)


BindingDB Entry DOI: 10.7270/Q2736V0F
More data for this
Ligand-Target Pair
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 |r|
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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 AdaptaŽ kinase ...


US Patent US10865206 (2020)


BindingDB Entry DOI: 10.7270/Q2736V0F
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM475935
PNG
(US10865206, Compound 101)
Show SMILES Nc1ccc(cc1)C(=O)NC1CC(O)CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
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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 AdaptaŽ kinase ...


US Patent US10865206 (2020)


BindingDB Entry DOI: 10.7270/Q2736V0F
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 |r|
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n/an/a<100n/an/an/an/an/an/a



NIH



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


Bioorg Med Chem Lett 18: 1297-303 (2008)


BindingDB Entry DOI: 10.7270/Q2RR21KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM395711
PNG
( (1S,3R)—N-(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 |r|
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n/an/a<100n/an/an/an/an/an/a



NIH



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


Bioorg Med Chem Lett 18: 1297-303 (2008)


BindingDB Entry DOI: 10.7270/Q2RR21KT
More data for this
Ligand-Target Pair
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 |r|
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n/an/a<100n/an/an/an/an/an/a



NIH



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


Bioorg Med Chem Lett 18: 1297-303 (2008)


BindingDB Entry DOI: 10.7270/Q2RR21KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 12


(Homo sapiens)
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/a 102n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 102n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 112n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 128n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 133n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
BDBM50583917
PNG
(CHEMBL4800180)
Show SMILES CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
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n/an/a 135n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 138n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 156n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 189n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 12


(Homo sapiens)
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/a 215n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 284n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(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/a 286n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 299n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 347n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 414n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583917
PNG
(CHEMBL4800180)
Show SMILES CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
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n/an/a 430n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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-dependent kinase 2/G1/S-specific cyclin-E1


(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/a 460n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030895
PNG
(CHEMBL3356570)
Show SMILES COc1cc(ccc1-c1nc2cnccn2c1NC(C)C)-c1c(C)noc1C
Show InChI InChI=1S/C21H23N5O2/c1-12(2)23-21-20(24-18-11-22-8-9-26(18)21)16-7-6-15(10-17(16)27-5)19-13(3)25-28-14(19)4/h6-12,23H,1-5H3
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n/an/a 474n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030910
PNG
(CHEMBL3356556)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C
Show InChI InChI=1S/C22H24N4O/c1-14-19(15(2)27-25-14)16-9-11-17(12-10-16)20-21(24-22(3,4)5)26-13-7-6-8-18(26)23-20/h6-13,24H,1-5H3
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n/an/a 479n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
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 |r|
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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 AdaptaŽ kinase ...


US Patent US10865206 (2020)


BindingDB Entry DOI: 10.7270/Q2736V0F
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 |r|
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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 AdaptaŽ kinase ...


US Patent US10865206 (2020)


BindingDB Entry DOI: 10.7270/Q2736V0F
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 |r|
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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 AdaptaŽ kinase ...


US Patent US10865206 (2020)


BindingDB Entry DOI: 10.7270/Q2736V0F
More data for this
Ligand-Target Pair
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