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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50245386'   
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))
BDBM50245386
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H18ClN3O6S/c1-35(33,34)27-19(30)8-9-28-17-7-6-12(29)10-15(17)20-18(28)11-14(13-4-2-3-5-16(13)25)21-22(20)24(32)26-23(21)31/h2-7,10-11,29H,8-9H2,1H3,(H,27,30)(H,26,31,32)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245386
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H18ClN3O6S/c1-35(33,34)27-19(30)8-9-28-17-7-6-12(29)10-15(17)20-18(28)11-14(13-4-2-3-5-16(13)25)21-22(20)24(32)26-23(21)31/h2-7,10-11,29H,8-9H2,1H3,(H,27,30)(H,26,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair