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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate Reductase (DHFR)' and Ligand = 'BDBM50407515'   
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 (DHFR)


(Candida albicans)
BDBM50407515
PNG
(CHEMBL120924)
Show SMILES COc1cc(Sc2cccc3nc(N)nc(N)c23)cc(OC)c1OC
Show InChI InChI=1S/C17H18N4O3S/c1-22-11-7-9(8-12(23-2)15(11)24-3)25-13-6-4-5-10-14(13)16(18)21-17(19)20-10/h4-8H,1-3H3,(H4,18,19,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Candida albicans (in vitro).


J Med Chem 38: 3608-16 (1995)


BindingDB Entry DOI: 10.7270/Q2V69KS6
More data for this
Ligand-Target Pair