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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50022237'   
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


(Lactobacillus casei)
BDBM50022237
PNG
((S)-2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-...)
Show SMILES Nc1nc2ccc(CN(CC3CC3)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C25H27N5O6/c26-25-28-19-8-3-15(11-18(19)23(34)29-25)13-30(12-14-1-2-14)17-6-4-16(5-7-17)22(33)27-20(24(35)36)9-10-21(31)32/h3-8,11,14,20H,1-2,9-10,12-13H2,(H,27,33)(H,31,32)(H,35,36)(H3,26,28,29,34)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase of Lactobacillus casei


J Med Chem 29: 1754-60 (1986)


BindingDB Entry DOI: 10.7270/Q2K074VD
More data for this
Ligand-Target Pair