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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50015202   
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 9


(Homo sapiens (Human))
BDBM50583718
PNG
(CHEMBL5092362)
Show SMILES Nc1cc(cc(N)n1)-c1ccc2occc2c1
PDB
MMDB

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


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583763
PNG
(CHEMBL5093661)
Show SMILES Cc1nc2ccc(nc2n1CCOc1cccc(Cl)n1)-c1cc(N)nc(N)c1
PDB
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n/an/a 222n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583762
PNG
(CHEMBL5089171)
Show SMILES Cc1nc2ccc(nc2n1CCOc1cccc(Br)n1)-c1cc(N)nc(N)c1
PDB
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n/an/a 289n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583748
PNG
(CHEMBL5084504)
Show SMILES Cc1nc2ccc(nc2n1C1CCCC1)-c1cc(N)nc(N)c1
PDB
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n/an/a 314n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583764
PNG
(CHEMBL5084166)
Show SMILES C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1cccc(Br)n1 |r|
PDB
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n/an/a 467n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583750
PNG
(CHEMBL5072926)
Show SMILES Cc1nc2ccc(nc2n1CCC1CCCCC1)-c1cc(N)nc(N)c1
PDB
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583759
PNG
(CHEMBL5077422)
Show SMILES Cc1nc2ccc(nc2n1CCOc1ccccn1)-c1cc(N)nc(N)c1
PDB
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n/an/a 881n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583753
PNG
(CHEMBL5088511)
Show SMILES Cc1nc2ccc(nc2n1CCOc1ccccc1)-c1cc(N)nc(N)c1
PDB
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n/an/a 1.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583744
PNG
(CHEMBL5082456)
Show SMILES CCCCn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
PDB
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n/an/a 1.24E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583743
PNG
(CHEMBL5088553)
Show SMILES Cc1nc2ccc(nc2n1C)-c1cc(N)nc(N)c1
PDB
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n/an/a 1.26E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583756
PNG
(CHEMBL5080497)
Show SMILES Cc1nc2ccc(nc2n1CCCC(F)(F)F)-c1cc(N)nc(N)c1
PDB
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n/an/a 1.41E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583747
PNG
(CHEMBL5094409)
Show SMILES Cc1nc2ccc(nc2n1C(C)(C)C)-c1cc(N)nc(N)c1
PDB
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n/an/a 1.84E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583752
PNG
(CHEMBL5073976)
Show SMILES Cc1nc2ccc(nc2n1CCc1ccco1)-c1cc(N)nc(N)c1
PDB
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n/an/a 1.95E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50530430
PNG
(CHEMBL4460561)
Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1
Show InChI InChI=1S/C15H16N6/c1-8-18-12-5-4-11(9-6-13(16)20-14(17)7-9)19-15(12)21(8)10-2-3-10/h4-7,10H,2-3H2,1H3,(H4,16,17,20)
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n/an/a 2.15E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50530429
PNG
(CHEMBL4575900)
Show SMILES C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccc1 |r|
Show InChI InChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)/t13-/m1/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583761
PNG
(CHEMBL5079873)
Show SMILES C[C@@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccn1 |r|
PDB
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TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583760
PNG
(CHEMBL5092833)
Show SMILES C[C@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccn1 |r|
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TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583758
PNG
(CHEMBL5071425)
Show SMILES C[C@@H](Cn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1)Oc1ccccc1 |r|
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n/an/a>3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583746
PNG
(CHEMBL5091644)
Show SMILES CCCCc1nc2ccc(nc2n1CCCC)-c1cc(N)nc(N)c1
PDB
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n/an/a>3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583749
PNG
(CHEMBL5089294)
Show SMILES COCCCn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
PDB
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n/an/a 3.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583751
PNG
(CHEMBL5073581)
Show SMILES Cc1nc2ccc(nc2n1Cc1ccc(F)cc1)-c1cc(N)nc(N)c1
PDB
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n/an/a 4.58E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583742
PNG
(CHEMBL5090552)
Show SMILES Nc1cc(cc(N)n1)-c1ccc2oc(Cl)cc2c1
PDB
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n/an/a 5.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583754
PNG
(CHEMBL5077927)
Show SMILES Cc1nc2ccc(nc2n1CC(F)F)-c1cc(N)nc(N)c1
PDB
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n/an/a 5.69E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583755
PNG
(CHEMBL5070553)
Show SMILES Cc1nc2ccc(nc2n1CC(F)(F)F)-c1cc(N)nc(N)c1
PDB
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n/an/a 5.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583757
PNG
(CHEMBL5073869)
Show SMILES Cc1oc2ccc(cc2c1C)-c1cc(N)nc(N)c1
PDB
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n/an/a 8.84E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583741
PNG
(CHEMBL5094822)
Show SMILES Cc1cc2cc(ccc2o1)-c1cc(N)nc(N)c1
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583745
PNG
(CHEMBL5092736)
Show SMILES CCCCn1c(CC)nc2ccc(nc12)-c1cc(N)nc(N)c1
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00023
BindingDB Entry DOI: 10.7270/Q20K2DF1
More data for this
Ligand-Target Pair