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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50426847   
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
Thymidylate synthase


(Homo sapiens (Human))
BDBM50426847
PNG
(CHEMBL2323368)
Show SMILES CC1(C)C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C15H12O2/c1-15(2)13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair
Thymidylate synthase


(Escherichia coli)
BDBM50426847
PNG
(CHEMBL2323368)
Show SMILES CC1(C)C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C15H12O2/c1-15(2)13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.88E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli thymidylate synthase A


Bioorg Med Chem Lett 23: 663-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.117
BindingDB Entry DOI: 10.7270/Q27W6DHQ
More data for this
Ligand-Target Pair