Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50018475'   

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)	BDBM50018475 (5-(3,4-Dimethoxy-5-propoxy-benzyl)-pyrimidine-2,4-...) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C16H22N4O3/c1-4-5-23-13-8-10(7-12(21-2)14(13)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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 Escherichia coli				J Med Chem 32: 1949-58 (1989) BindingDB Entry DOI: 10.7270/Q2DF6Q6G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50018475 (5-(3,4-Dimethoxy-5-propoxy-benzyl)-pyrimidine-2,4-...) Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C16H22N4O3/c1-4-5-23-13-8-10(7-12(21-2)14(13)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	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