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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 = 'BDBM50298828'   
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)
BDBM50298828
PNG
((R)-5-(3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)bu...)
Show SMILES COc1cc(cc(c1)-c1c(C)cccc1C)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)/t14-/m0/s1
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PC cid
PC sid
PDB
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Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair