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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 = 'BDBM50049913'   
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)
BDBM50049913
PNG
(7-Ethyl-8-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1...)
Show SMILES CCn1c(cc2c1ccc1nc(N)nc(N)c21)C(C)C
Show InChI InChI=1S/C15H19N5/c1-4-20-11-6-5-10-13(14(16)19-15(17)18-10)9(11)7-12(20)8(2)3/h5-8H,4H2,1-3H3,(H4,16,17,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.330n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair