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PubMed code 19059777

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50366327
PNG
(CHEMBL192037)
Show SMILES CCCN(CCC)[C@H]1CCn2cccc2C1
Show InChI InChI=1S/C14H24N2/c1-3-8-15(9-4-2)14-7-11-16-10-5-6-13(16)12-14/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3/t14-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 3.25E+5n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem Lett 19: 418-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.054
BindingDB Entry DOI: 10.7270/Q2JS9RCZ
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM50366327
PNG
(CHEMBL192037)
Show SMILES CCCN(CCC)[C@H]1CCn2cccc2C1
Show InChI InChI=1S/C14H24N2/c1-3-8-15(9-4-2)14-7-11-16-10-5-6-13(16)12-14/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii TS-DHFR


Bioorg Med Chem Lett 19: 418-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.054
BindingDB Entry DOI: 10.7270/Q2JS9RCZ
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50366327
PNG
(CHEMBL192037)
Show SMILES CCCN(CCC)[C@H]1CCn2cccc2C1
Show InChI InChI=1S/C14H24N2/c1-3-8-15(9-4-2)14-7-11-16-10-5-6-13(16)12-14/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Bioorg Med Chem Lett 19: 418-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.054
BindingDB Entry DOI: 10.7270/Q2JS9RCZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%