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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 = 'Rb (Ser780) Biotinylated 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 1 (CDK1)


(Homo sapiens (human))
BDBM33212
PNG
(pyrazolo pyridine, 11)
Show SMILES CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
Show InChI InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)
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n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substra...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM33216
PNG
(pyrazolopyridine, (R)-14)
Show SMILES NC[C@@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1
Show InChI InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m1/s1
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Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substra...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM33214
PNG
(pyrazolopyridine, 13)
Show SMILES NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccsc1
Show InChI InChI=1S/C15H17N5OS/c16-5-11-8-20(2-3-21-11)14-12(10-1-4-22-9-10)6-17-15-13(14)7-18-19-15/h1,4,6-7,9,11H,2-3,5,8,16H2,(H,17,18,19)
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Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substra...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM33213
PNG
(pyrazolopyridine, 12)
Show SMILES NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
Show InChI InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)
PDB
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n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substra...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair