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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase' and Ligand = 'BDBM50365700'   
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
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365700
PNG
(CHEMBL1958414)
Show SMILES COCCN(CCOC)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H21N5O3/c1-24-8-6-22(7-9-25-2)17-20-14(10-15(23)21-17)13-11-19-16-12(13)4-3-5-18-16/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)(H,20,21,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair
Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50365700
PNG
(CHEMBL1958414)
Show SMILES COCCN(CCOC)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C17H21N5O3/c1-24-8-6-22(7-9-25-2)17-20-14(10-15(23)21-17)13-11-19-16-12(13)4-3-5-18-16/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)(H,20,21,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 60n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDC7/DBF4-mediated MCM2 phosphorylation in human HCT116 cells after 6 hrs by spectrophotometric analysis


Bioorg Med Chem Lett 22: 1940-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.041
BindingDB Entry DOI: 10.7270/Q2DR2W0F
More data for this
Ligand-Target Pair