Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50018478'   

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 (Escherichia coli)	BDBM50018478 (5-(3-Ethoxy-4,5-dimethoxy-benzyl)-pyrimidine-2,4-d...) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C15H20N4O3/c1-4-22-12-7-9(6-11(20-2)13(12)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50018478 (5-(3-Ethoxy-4,5-dimethoxy-benzyl)-pyrimidine-2,4-d...) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C15H20N4O3/c1-4-22-12-7-9(6-11(20-2)13(12)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against Staphylococcus aureus				J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G
					More data for this Ligand-Target Pair