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Compile Data Set for Download or QSAR

Found 18 hits of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 7 (CDK7)' and Substrate = 'FAM-CDK7 derived peptide'   
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 (CDK7)


(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



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12124
PNG
(3-(Indol-2-yl)indazole 14 | 4-{3-[5-(piperidin-1-y...)
Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cnsc1
Show InChI InChI=1S/C24H23N5S/c1-2-8-29(9-3-1)14-16-4-7-21-18(10-16)12-23(26-21)24-20-6-5-17(11-22(20)27-28-24)19-13-25-30-15-19/h4-7,10-13,15,26H,1-3,8-9,14H2,(H,27,28)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12121
PNG
(3-(Indol-2-yl)indazole 11 | 4-({2-[6-(1H-pyrazol-4...)
Show SMILES C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C23H22N6O/c1-4-20-17(9-15(1)14-29-5-7-30-8-6-29)11-22(26-20)23-19-3-2-16(10-21(19)27-28-23)18-12-24-25-13-18/h1-4,9-13,26H,5-8,14H2,(H,24,25)(H,27,28)
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12123
PNG
(3-(Indol-2-yl)indazole 13 | 4-({2-[6-(1H-pyrazol-5...)
Show SMILES C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cc[nH]n1
Show InChI InChI=1S/C23H22N6O/c1-4-19-17(11-15(1)14-29-7-9-30-10-8-29)13-22(25-19)23-18-3-2-16(12-21(18)27-28-23)20-5-6-24-26-20/h1-6,11-13,25H,7-10,14H2,(H,24,26)(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12131
PNG
((5-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-...)
Show SMILES OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30)
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12126
PNG
(3-(Indol-2-yl)indazole 16 | 3-[5-(piperidin-1-ylme...)
Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1ccnn1
Show InChI InChI=1S/C23H23N7/c1-2-9-29(10-3-1)15-16-4-7-20-17(12-16)13-22(25-20)23-19-6-5-18(14-21(19)26-27-23)30-11-8-24-28-30/h4-8,11-14,25H,1-3,9-10,15H2,(H,26,27)
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n/an/a 57n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12132
PNG
(3-(Indol-2-yl)indazole 22 | [5-(3-{5-[(4-fluoropip...)
Show SMILES OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1
Show InChI InChI=1S/C24H24FN7O/c25-17-5-7-32(8-6-17)12-14-1-4-19-16(9-14)11-21(26-19)24-18-3-2-15(10-20(18)27-29-24)23-22(13-33)28-31-30-23/h1-4,9-11,17,26,33H,5-8,12-13H2,(H,27,29)(H,28,30,31)
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12133
PNG
(3-(Indol-2-yl)indazole 23 | [5-(3-{5-[(4-fluoropip...)
Show SMILES NCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1
Show InChI InChI=1S/C24H25FN8/c25-17-5-7-33(8-6-17)13-14-1-4-19-16(9-14)11-21(27-19)24-18-3-2-15(10-20(18)28-30-24)23-22(12-26)29-32-31-23/h1-4,9-11,17,27H,5-8,12-13,26H2,(H,28,30)(H,29,31,32)
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12134
PNG
(2-methoxy-4-{3-[5-(piperidin-1-ylmethyl)-1H-indol-...)
Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C28H28N4O2/c1-34-27-16-20(7-10-26(27)33)19-6-8-22-24(14-19)30-31-28(22)25-15-21-13-18(5-9-23(21)29-25)17-32-11-3-2-4-12-32/h5-10,13-16,29,33H,2-4,11-12,17H2,1H3,(H,30,31)
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n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12127
PNG
(3-(Indol-2-yl)indazole 17 | 6-(5-methyl-1H-1,2,3-t...)
Show SMILES Cc1cnnn1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C24H25N7/c1-16-14-25-29-31(16)19-6-7-20-22(13-19)27-28-24(20)23-12-18-11-17(5-8-21(18)26-23)15-30-9-3-2-4-10-30/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,28)
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n/an/a 420n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12129
PNG
(3-(Indol-2-yl)indazole 19 | 3-[5-(piperidin-1-ylme...)
Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1nccn1
Show InChI InChI=1S/C23H23N7/c1-2-10-29(11-3-1)15-16-4-7-20-17(12-16)13-22(26-20)23-19-6-5-18(14-21(19)27-28-23)30-24-8-9-25-30/h4-9,12-14,26H,1-3,10-11,15H2,(H,27,28)
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n/an/a 480n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12118
PNG
(3-(Indol-2-yl)indazole 8 | 3-[5-(morpholin-4-ylmet...)
Show SMILES NC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C21H21N5O2/c22-21(27)14-2-3-16-18(10-14)24-25-20(16)19-11-15-9-13(1-4-17(15)23-19)12-26-5-7-28-8-6-26/h1-4,9-11,23H,5-8,12H2,(H2,22,27)(H,24,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12128
PNG
(3-(Indol-2-yl)indazole 18 | 3-[5-(piperidin-1-ylme...)
Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1cccn1
Show InChI InChI=1S/C24H24N6/c1-2-10-29(11-3-1)16-17-5-8-21-18(13-17)14-23(26-21)24-20-7-6-19(15-22(20)27-28-24)30-12-4-9-25-30/h4-9,12-15,26H,1-3,10-11,16H2,(H,27,28)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12125
PNG
(2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-i...)
Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1nccs1
Show InChI InChI=1S/C24H23N5S/c1-2-9-29(10-3-1)15-16-4-7-20-18(12-16)14-22(26-20)23-19-6-5-17(13-21(19)27-28-23)24-25-8-11-30-24/h4-8,11-14,26H,1-3,9-10,15H2,(H,27,28)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12119
PNG
(3-(Indol-2-yl)indazole 9 | N-methyl-3-[5-(morpholi...)
Show SMILES CNC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C22H23N5O2/c1-23-22(28)15-3-4-17-19(11-15)25-26-21(17)20-12-16-10-14(2-5-18(16)24-20)13-27-6-8-29-9-7-27/h2-5,10-12,24H,6-9,13H2,1H3,(H,23,28)(H,25,26)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12117
PNG
(3-(Indol-2-yl)indazole 7 | methyl 3-[5-(morpholin-...)
Show SMILES COC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C22H22N4O3/c1-28-22(27)15-3-4-17-19(11-15)24-25-21(17)20-12-16-10-14(2-5-18(16)23-20)13-26-6-8-29-9-7-26/h2-5,10-12,23H,6-9,13H2,1H3,(H,24,25)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12130
PNG
(3-(Indol-2-yl)indazole 20 | 6-phenyl-3-[5-(piperid...)
Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C27H26N4/c1-3-7-20(8-4-1)21-10-11-23-25(16-21)29-30-27(23)26-17-22-15-19(9-12-24(22)28-26)18-31-13-5-2-6-14-31/h1,3-4,7-12,15-17,28H,2,5-6,13-14,18H2,(H,29,30)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12120
PNG
(3-(Indol-2-yl)indazole 10 | N,N-dimethyl-3-[5-(mor...)
Show SMILES CN(C)C(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
Show InChI InChI=1S/C23H25N5O2/c1-27(2)23(29)16-4-5-18-20(12-16)25-26-22(18)21-13-17-11-15(3-6-19(17)24-21)14-28-7-9-30-10-8-28/h3-6,11-13,24H,7-10,14H2,1-2H3,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair