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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50014617   
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 1


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK4 (unknown origin) expressed in Sf9 insect cells incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter met...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK5 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50553495
PNG
(CHEMBL4786559)
Show SMILES COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578022
PNG
(CHEMBL4876497)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578008
PNG
(CHEMBL4856767)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578017
PNG
(CHEMBL4875272)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
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n/an/a 6.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578014
PNG
(CHEMBL4872952)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|
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n/an/a 9.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578001
PNG
(CHEMBL4855785)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578010
PNG
(CHEMBL4860265)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r|
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578021
PNG
(CHEMBL4857229)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578007
PNG
(CHEMBL4848043)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2F)n1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578013
PNG
(CHEMBL4871323)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)c(F)c2)n1 |r|
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578003
PNG
(CHEMBL4856958)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccc(F)c(F)c2)n1
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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578023
PNG
(CHEMBL4864763)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccc(F)cc2)cnc1Cl |r|
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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50578014
PNG
(CHEMBL4872952)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578018
PNG
(CHEMBL4862568)
Show SMILES OC[C@H](Nc1cncc(n1)-c1ccc2[nH]ncc2c1)c1ccccc1 |r|
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578002
PNG
(CHEMBL4874951)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccc(F)cc2)n1
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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50578019
PNG
(CHEMBL4863726)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1
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n/an/a 53n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50578010
PNG
(CHEMBL4860265)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r|
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n/an/a 56n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50578008
PNG
(CHEMBL4856767)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
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n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578011
PNG
(CHEMBL4858120)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(Cl)cc2)n1 |r|
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n/an/a 76n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50578001
PNG
(CHEMBL4855785)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1
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n/an/a 147n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578006
PNG
(CHEMBL4866369)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2cccc(C)c2)n1
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n/an/a 153n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50578022
PNG
(CHEMBL4876497)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
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n/an/a 164n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50578019
PNG
(CHEMBL4863726)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1
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n/an/a 322n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK7 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578005
PNG
(CHEMBL4865258)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2cccc(c2)C(F)(F)F)n1
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n/an/a 341n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50578014
PNG
(CHEMBL4872952)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|
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n/an/a 496n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK7 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578004
PNG
(CHEMBL4867494)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2cccc(OC(F)(F)F)c2)n1
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n/an/a 633n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578019
PNG
(CHEMBL4863726)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1
PDB
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n/an/a 643n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578012
PNG
(CHEMBL4861326)
Show SMILES COc1ccc(cc1)[C@H](CO)Nc1cncc(n1)-c1ccc2[nH]nc(C)c2c1 |r|
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n/an/a 774n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578015
PNG
(CHEMBL4852806)
Show SMILES C[C@@H](Nc1cncc(n1)-c1ccc2[nH]nc(C)c2c1)c1ccccc1 |r|
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n/an/a 883n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50578020
PNG
(CHEMBL4863744)
Show SMILES CC(CO)Nc1cncc(n1)-c1ccc2[nH]nc(C)c2c1
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n/an/a 995n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50578021
PNG
(CHEMBL4857229)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50553495
PNG
(CHEMBL4786559)
Show SMILES COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50578001
PNG
(CHEMBL4855785)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1
PDB
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50578008
PNG
(CHEMBL4856767)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50578010
PNG
(CHEMBL4860265)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50578014
PNG
(CHEMBL4872952)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|
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TBA

Assay Description
Inhibition of CDK4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50578019
PNG
(CHEMBL4863726)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1
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TBA

Assay Description
Inhibition of CDK4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50578021
PNG
(CHEMBL4857229)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
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TBA

Assay Description
Inhibition of CDK4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50578022
PNG
(CHEMBL4876497)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50553495
PNG
(CHEMBL4786559)
Show SMILES COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)|
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TBA

Assay Description
Inhibition of CDK4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50578001
PNG
(CHEMBL4855785)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC(CO)c2ccccc2)n1
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50578008
PNG
(CHEMBL4856767)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccccc2)n1 |r|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50578010
PNG
(CHEMBL4860265)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2ccc(F)cc2)n1 |r|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50578014
PNG
(CHEMBL4872952)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(N[C@@H](CO)c2cccc(F)c2)n1 |r|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50578019
PNG
(CHEMBL4863726)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC2CCCC(O)C2)n1
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01148
BindingDB Entry DOI: 10.7270/Q2154MVT
More data for this
Ligand-Target Pair
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