Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50108175'   

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 (Mycobacterium avium)	BDBM50108175 (5-(2-Methoxy-5-octyloxy-benzyl)-pyrimidine-2,4-dia...) Show SMILES CCCCCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C20H30N4O2/c1-3-4-5-6-7-8-11-26-17-9-10-18(25-2)15(13-17)12-16-14-23-20(22)24-19(16)21/h9-10,13-14H,3-8,11-12H2,1-2H3,(H4,21,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of partially purified dihydrofolate reductase (DHFR) from Mycobacterium avium (Ma)				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50108175 (5-(2-Methoxy-5-octyloxy-benzyl)-pyrimidine-2,4-dia...) Show SMILES CCCCCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C20H30N4O2/c1-3-4-5-6-7-8-11-26-17-9-10-18(25-2)15(13-17)12-16-14-23-20(22)24-19(16)21/h9-10,13-14H,3-8,11-12H2,1-2H3,(H4,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of partially purified dihydrofolate reductase (DHFR) from rat liver				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50108175 (5-(2-Methoxy-5-octyloxy-benzyl)-pyrimidine-2,4-dia...) Show SMILES CCCCCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1 Show InChI InChI=1S/C20H30N4O2/c1-3-4-5-6-7-8-11-26-17-9-10-18(25-2)15(13-17)12-16-14-23-20(22)24-19(16)21/h9-10,13-14H,3-8,11-12H2,1-2H3,(H4,21,22,23,24)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase.				J Med Chem 45: 233-41 (2001) BindingDB Entry DOI: 10.7270/Q2SX6CJ2
					More data for this Ligand-Target Pair