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Compile Data Set for Download or QSAR

Found 537 hits of ic50 data for polymerid = 995   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-dependent kinase 7


(Homo sapiens (Human))		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-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
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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n/an/a 3.20n/an/an/an/an/an/a


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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n/an/a 3.20n/an/an/an/an/an/a


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
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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n/an/a 3.20n/an/an/an/an/an/a



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))		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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n/an/a 3.20n/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))		BDBM50609501
PNG
(CHEMBL5288241)		PDB
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n/an/a 4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM50609501
PNG
(CHEMBL5288241)		PDB
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n/an/a 4n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM50536679
PNG
(CHEMBL4568087)
Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged CDK7 expressed in baculovirus expression system by Adapta assay

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM642790
PNG
(US11857552, Compound APPAMP-004)
Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12
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n/an/a 4.20n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM642790
PNG
(US11857552, Compound APPAMP-004)
Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12
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n/an/a 4.20n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM642790
PNG
(US11857552, Compound APPAMP-004)
Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12
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n/an/a 4.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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<5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01467
BindingDB Entry DOI: 10.7270/Q24Q801K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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<5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01467
BindingDB Entry DOI: 10.7270/Q24Q801K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50511926
PNG
(CHEMBL4442620)
Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50609503
PNG
(CHEMBL5269885)		PDB
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n/an/a 5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM50539722
PNG
(CHEMBL4644572)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(O[C@H]3CCCNC3)nc12 |r|
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)/t18-/m0/s1
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n/an/a<5n/an/an/an/an/an/a



Lebanese American University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

J Med Chem 63: 7458-7474 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526799
PNG
(CHEMBL4440386)
Show SMILES CC(C)c1cnn2c(NCc3cccc4n(C)ncc34)nc(OC3CCCNC3)nc12
Show InChI InChI=1S/C22H28N8O/c1-14(2)17-12-26-30-20(17)27-22(31-16-7-5-9-23-11-16)28-21(30)24-10-15-6-4-8-19-18(15)13-25-29(19)3/h4,6,8,12-14,16,23H,5,7,9-11H2,1-3H3,(H,24,27,28)
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n/an/a<5n/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
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526792
PNG
(CHEMBL4454044)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)
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n/an/a<5n/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
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526792
PNG
(CHEMBL4454044)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)
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n/an/a<5n/an/an/an/an/an/a



Lebanese American University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

J Med Chem 63: 7458-7474 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526798
PNG
(CHEMBL4552441)
Show SMILES CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12
Show InChI InChI=1S/C21H26N8O/c1-13(2)16-12-25-29-19(16)26-21(30-15-6-4-8-22-10-15)27-20(29)23-9-14-5-3-7-18-17(14)11-24-28-18/h3,5,7,11-13,15,22H,4,6,8-10H2,1-2H3,(H,24,28)(H,23,26,27)
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n/an/a<5n/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
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50609500
PNG
(CHEMBL5286683)		PDB
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n/an/a 6n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM50609504
PNG
(CHEMBL5274920)		PDB
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n/an/a 7n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a


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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))		BDBM642789
PNG
(US11857552, Compound APPAMP-003)
Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12
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n/an/a 8.90n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM642789
PNG
(US11857552, Compound APPAMP-003)
Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12
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Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM642789
PNG
(US11857552, Compound APPAMP-003)
Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12
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Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526795
PNG
(CHEMBL4450322)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)[nH]nc2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C28H33N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a


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))		BDBM50378657
PNG
(CHEMBL1230607)
Show SMILES CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
Show InChI InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
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n/an/a 10n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase

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


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK7 (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50536681
PNG
(CHEMBL4552628)
Show SMILES Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Show InChI InChI=1S/C18H18ClF2N5OS/c1-9-11(12-7-24-26-8-10(19)6-23-16(12)26)5-14(28-9)17(27)25-15-13(22)3-2-4-18(15,20)21/h5-8,13,15H,2-4,22H2,1H3,(H,25,27)/t13-,15-/m1/s1
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n/an/a<10n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged CDK7 expressed in baculovirus expression system by Adapta assay

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP1 (unknown origin)

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


(Homo sapiens (Human))		BDBM12116
PNG
(3-(Indol-2-yl)indazole 6 | 3-[5-(morpholin-4-ylmet...)
Show SMILES N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C21H19N5O/c22-12-14-1-3-17-19(10-14)24-25-21(17)20-11-16-9-15(2-4-18(16)23-20)13-26-5-7-27-8-6-26/h1-4,9-11,23H,5-8,13H2,(H,24,25)
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n/an/a 11n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of CDC7 (unknown origin)

Bioorg Med Chem 23: 1858-68 (2015)


Article DOI: 10.1016/j.bmc.2015.02.004
BindingDB Entry DOI: 10.7270/Q26H4K23
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM444563
PNG
(US10662186, Compound 82 | US10988476, Compound I-8...)
Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Show InChI InChI=1S/C25H27F2N7/c1-4-17(5-2)34-14(3)30-24-18(26)10-16(11-21(24)34)23-19(27)13-29-25(33-23)32-22-7-6-15-12-28-9-8-20(15)31-22/h6-7,10-11,13,17,28H,4-5,8-9,12H2,1-3H3,(H,29,31,32,33)
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n/an/a 11.4n/an/an/an/an/an/a



SHANGHAI PHARMACEUTICALS HOLDING CO., LTD.

US Patent


Assay Description
1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...

US Patent US10988476 (2021)


BindingDB Entry DOI: 10.7270/Q2PR8047
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM444563
PNG
(US10662186, Compound 82 | US10988476, Compound I-8...)
Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Show InChI InChI=1S/C25H27F2N7/c1-4-17(5-2)34-14(3)30-24-18(26)10-16(11-21(24)34)23-19(27)13-29-25(33-23)32-22-7-6-15-12-28-9-8-20(15)31-22/h6-7,10-11,13,17,28H,4-5,8-9,12H2,1-3H3,(H,29,31,32,33)
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n/an/a 11.4n/an/an/an/an/an/a



SHANGHAI PHARMACEUTICALS HOLDING CO., LTD.

US Patent


Assay Description
1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...

US Patent US10662186 (2020)


BindingDB Entry DOI: 10.7270/Q2GX4FKS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM478948
PNG
(N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1'-propioloyl...)
Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C#C[Si](C)(C)C |t:22|
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n/an/a 12n/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

US Patent


Assay Description
The inhibitory activity of the test compounds was assessed by the LANCE TR-FRET assay, which detects the ATP-dependent phosphorylation of an ULight-m...

US Patent US10894786 (2021)


BindingDB Entry DOI: 10.7270/Q2K35XRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM642787
PNG
(US11857552, Compound APPAMP-001)
Show SMILES CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12
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n/an/a 13n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM642787
PNG
(US11857552, Compound APPAMP-001)
Show SMILES CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12
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Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM642787
PNG
(US11857552, Compound APPAMP-001)
Show SMILES CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12
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n/an/a 13n/an/an/an/an/an/a


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


(Homo sapiens (Human))		BDBM50526794
PNG
(CHEMBL4303287 | US10787436, Compound I-18)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+
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n/an/a 14n/an/an/an/an/an/a


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))		BDBM50539720
PNG
(CHEMBL4648392)
Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(C1)cc(NC(=O)c1ccc(NC(=O)C=C)cc1)c3)n2 |t:3|
Show InChI InChI=1S/C33H32N6O3/c1-3-31(40)35-26-12-10-24(11-13-26)32(41)36-27-18-23-19-28(21-27)37-33-34-15-14-30(38-33)25-8-7-9-29(20-25)42-17-6-4-5-16-39(2)22-23/h3-5,7-15,18-21H,1,6,16-17,22H2,2H3,(H,35,40)(H,36,41)(H,34,37,38)/b5-4+
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n/an/a<15n/an/an/an/an/an/a



Lebanese American University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

J Med Chem 63: 7458-7474 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM601954
PNG
(8'-methyl-2'-((4-((4-methylpiperazin- 1-yl)sulfony...)
Show SMILES CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
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n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0MGD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM444565
PNG
(US10662186, Compound 84 | US10988476, Compound I-8...)
Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Show InChI InChI=1S/C25H25F2N7/c1-13(15-3-4-15)34-14(2)30-24-18(26)9-17(10-21(24)34)23-19(27)12-29-25(33-23)32-22-6-5-16-11-28-8-7-20(16)31-22/h5-6,9-10,12-13,15,28H,3-4,7-8,11H2,1-2H3,(H,29,31,32,33)
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US Patent
n/an/a 16.7n/an/an/an/an/an/a



SHANGHAI PHARMACEUTICALS HOLDING CO., LTD.

US Patent


Assay Description
1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...

US Patent US10988476 (2021)


BindingDB Entry DOI: 10.7270/Q2PR8047
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM444565
PNG
(US10662186, Compound 84 | US10988476, Compound I-8...)
Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Show InChI InChI=1S/C25H25F2N7/c1-13(15-3-4-15)34-14(2)30-24-18(26)9-17(10-21(24)34)23-19(27)12-29-25(33-23)32-22-6-5-16-11-28-8-7-20(16)31-22/h5-6,9-10,12-13,15,28H,3-4,7-8,11H2,1-2H3,(H,29,31,32,33)
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n/an/a 16.7n/an/an/an/an/an/a



SHANGHAI PHARMACEUTICALS HOLDING CO., LTD.

US Patent


Assay Description
1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...

US Patent US10662186 (2020)


BindingDB Entry DOI: 10.7270/Q2GX4FKS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50593926
PNG
(CHEMBL5207274)
Show SMILES CN(C)\C=C\CC(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
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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))		BDBM50539718
PNG
(CHEMBL4643708)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@]3(O)CCNC[C@H]3O)nc12 |r|
Show InChI InChI=1S/C21H28N6O2/c1-14(2)16-12-24-27-19(23-11-15-6-4-3-5-7-15)10-18(25-20(16)27)26-21(29)8-9-22-13-17(21)28/h3-7,10,12,14,17,22-23,28-29H,8-9,11,13H2,1-2H3,(H,25,26)/t17-,21+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Lebanese American University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

J Med Chem 63: 7458-7474 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50609502
PNG
(CHEMBL5273413)		PDB
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n/an/a 19n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM50186373
PNG
(CHEMBL424696 | N-(5-(2-(cyclohexyloxy)pyrimidin-4-...)
Show SMILES C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1
Show InChI InChI=1S/C18H19N5OS/c1-2-6-13(7-3-1)24-17-20-11-9-14(22-17)15-12-21-18(25-15)23-16-8-4-5-10-19-16/h4-5,8-13H,1-3,6-7H2,(H,19,21,23)
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n/an/a 20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK7

Bioorg Med Chem Lett 16: 3751-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.048
BindingDB Entry DOI: 10.7270/Q2N29WK0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526801
PNG
(CHEMBL4474655)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r|
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1
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n/an/a<20n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) after 4 hrs

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
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