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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50027976'   
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)		BDBM50027976
PNG
(CHEMBL45202 | {3-[2-Bromo-5-(2,4-diamino-pyrimidin...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCCC(=O)NCC(O)=O)c1Br
Show InChI InChI=1S/C17H20BrN5O5/c1-27-11-5-9(4-10-7-22-17(20)23-16(10)19)6-12(15(11)18)28-3-2-13(24)21-8-14(25)26/h5-7H,2-4,8H2,1H3,(H,21,24)(H,25,26)(H4,19,20,22,23)
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PubMed
 4.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound against L. casei Dihydrofolate reductase

J Med Chem 27: 1672-6 (1985)


BindingDB Entry DOI: 10.7270/Q2G73CQG
More data for this
Ligand-Target Pair