Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50027977'   

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)	BDBM50027977 (2-{3-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCCC(=O)NC(CCC(O)=O)C(O)=O)c1Br Show InChI InChI=1S/C20H24BrN5O7/c1-32-13-7-10(6-11-9-24-20(23)26-18(11)22)8-14(17(13)21)33-5-4-15(27)25-12(19(30)31)2-3-16(28)29/h7-9,12H,2-6H2,1H3,(H,25,27)(H,28,29)(H,30,31)(H4,22,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	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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