Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50313642'   

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 (Homo sapiens (Human))	BDBM50313642 ((Z)-5-(2-(naphthalen-1-yl)prop-1-enyl)furo[2,3-d]p...) Show SMILES C\C(=C\c1coc2nc(N)nc(N)c12)c1cccc2ccccc12 Show InChI InChI=1S/C19H16N4O/c1-11(14-8-4-6-12-5-2-3-7-15(12)14)9-13-10-24-18-16(13)17(20)22-19(21)23-18/h2-10H,1H3,(H4,20,21,22,23)/b11-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of DHFR				J Med Chem 53: 1413-37 (2010) Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0
					More data for this Ligand-Target Pair