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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50448344   
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))
BDBM50448344
PNG
(CHEMBL3121462)
Show SMILES CN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H16F5N3/c1-31(16-8-9-17(24)18(25)12-16)13-21-22(14-5-3-2-4-6-14)30-19-10-7-15(23(26,27)28)11-20(19)29-21/h2-12H,13H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Competitive inhibition of human thymidylate synthase by spectrophotometry


Eur J Med Chem 75: 169-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.048
BindingDB Entry DOI: 10.7270/Q2PR7XGH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50448344
PNG
(CHEMBL3121462)
Show SMILES CN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H16F5N3/c1-31(16-8-9-17(24)18(25)12-16)13-21-22(14-5-3-2-4-6-14)30-19-10-7-15(23(26,27)28)11-20(19)29-21/h2-12H,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Competitive inhibition of human dihydrofolate reductase by spectrophotometry


Eur J Med Chem 75: 169-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.048
BindingDB Entry DOI: 10.7270/Q2PR7XGH
More data for this
Ligand-Target Pair