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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50018477'   
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


(Escherichia coli)		BDBM50018477
PNG
(5-(3,4-Dimethoxy-5-propyl-benzyl)-pyrimidine-2,4-d...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C16H22N4O2/c1-4-5-11-6-10(8-13(21-2)14(11)22-3)7-12-9-19-16(18)20-15(12)17/h6,8-9H,4-5,7H2,1-3H3,(H4,17,18,19,20)
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.400n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.

J Med Chem 32: 1949-58 (1989)


BindingDB Entry DOI: 10.7270/Q2DF6Q6G
More data for this
Ligand-Target Pair