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Compile Data Set for Download or QSAR

Found 4 hits of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 1 (CDK1)' and Substrate = 'Biotinylated peptide substrate'   
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 1 (CDK1)


(Homo sapiens (human))
BDBM11460
PNG
(2,6,9-trisubstituted adenine derivative | 2-N-(4-a...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-
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Article
PubMed
n/an/a 52n/an/an/an/a8.030



Lawrence Berkeley National Laboratory



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af...


J Med Chem 44: 524-30 (2001)


Article DOI: 10.1021/jm001043t
BindingDB Entry DOI: 10.7270/Q2Q23XGD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM11459
PNG
(2,6,9-trisubstituted adenine derivative | 2-N-(4-a...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C20H31N7/c21-14-7-9-15(10-8-14)24-20-25-18(22-11-13-5-6-13)17-19(26-20)27(12-23-17)16-3-1-2-4-16/h12-16H,1-11,21H2,(H2,22,24,25,26)/t14-,15-
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Article
PubMed
n/an/a 70n/an/an/an/a8.030



Lawrence Berkeley National Laboratory



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af...


J Med Chem 44: 524-30 (2001)


Article DOI: 10.1021/jm001043t
BindingDB Entry DOI: 10.7270/Q2Q23XGD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM11458
PNG
(2,6,9-trisubstituted adenine derivative | 2-N-(4-a...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2cccc(I)c2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C23H30IN7/c24-16-5-3-4-15(12-16)13-26-21-20-22(31(14-27-20)19-6-1-2-7-19)30-23(29-21)28-18-10-8-17(25)9-11-18/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H2,26,28,29,30)/t17-,18-
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Article
PubMed
n/an/a 226n/an/an/an/a8.030



Lawrence Berkeley National Laboratory



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af...


J Med Chem 44: 524-30 (2001)


Article DOI: 10.1021/jm001043t
BindingDB Entry DOI: 10.7270/Q2Q23XGD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM11461
PNG
(2,6,9-trisubstituted adenine derivative | 2-N-(4-a...)
Show SMILES C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2n(cnc12)C1CCCC1)c1ccccc1
Show InChI InChI=1S/C24H33N7/c1-16(17-7-3-2-4-8-17)27-22-21-23(31(15-26-21)20-9-5-6-10-20)30-24(29-22)28-19-13-11-18(25)12-14-19/h2-4,7-8,15-16,18-20H,5-6,9-14,25H2,1H3,(H2,27,28,29,30)/t16-,18-,19-/m1/s1
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/a8.030



Lawrence Berkeley National Laboratory



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. Af...


J Med Chem 44: 524-30 (2001)


Article DOI: 10.1021/jm001043t
BindingDB Entry DOI: 10.7270/Q2Q23XGD
More data for this
Ligand-Target Pair