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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50448348'   
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))
BDBM50448348
PNG
(CHEMBL3121451)
Show SMILES COc1ccc(cc1)N(CC#C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C26H20F3N3O/c1-3-15-32(20-10-12-21(33-2)13-11-20)17-24-25(18-7-5-4-6-8-18)31-22-14-9-19(26(27,28)29)16-23(22)30-24/h1,4-14,16H,15,17H2,2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.00E+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