Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50027974'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dihydrofolate reductase (Lactobacillus casei)	BDBM50027974 (3-{3-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCCCNCCC(O)=O)c1Br Show InChI InChI=1S/C18H24BrN5O4/c1-27-13-8-11(7-12-10-23-18(21)24-17(12)20)9-14(16(13)19)28-6-2-4-22-5-3-15(25)26/h8-10,22H,2-7H2,1H3,(H,25,26)(H4,20,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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