BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'CDK2/CycE' and Ligand = 'BDBM187121'   
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
CDK2/CycE


(Homo sapiens (human))
BDBM187121
PNG
(US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F
Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/a8.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM187121
PNG
(US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F
Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 625n/an/an/an/a8.0n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...


US Patent US9670161 (2017)


BindingDB Entry DOI: 10.7270/Q29G5K05
More data for this
Ligand-Target Pair