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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 26518   
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


(Bacillus anthracis)
BDBM26518
PNG
(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methyl...)
Show SMILES COc1ccc(OC)c(CC#Cc2c(C)nc(N)nc2N)c1
Show InChI InChI=1S/C16H18N4O2/c1-10-13(15(17)20-16(18)19-10)6-4-5-11-9-12(21-2)7-8-14(11)22-3/h7-9H,5H2,1-3H3,(H4,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
360n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of wild type Bacillus anthracis recombinant DHFR


J Med Chem 53: 7327-36 (2010)


Article DOI: 10.1021/jm100727t
BindingDB Entry DOI: 10.7270/Q2028RSR
More data for this
Ligand-Target Pair