Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50041175'   

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 (Pneumocystis carinii)	BDBM50041175 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-furo[2,3...) Show SMILES COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Pneumocystis carinii				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50041175 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-furo[2,3...) Show SMILES COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in recombinant human				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50041175 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-furo[2,3...) Show SMILES COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in Lactobacillus casei				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50041175 (5-[(3,4,5-Trimethoxy-phenylamino)-methyl]-furo[2,3...) Show SMILES COc1cc(NCc2coc3nc(N)nc(N)c23)cc(OC)c1OC Show InChI InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound for DHFR in rat liver				J Med Chem 37: 1169-76 (1994) BindingDB Entry DOI: 10.7270/Q2K64H4G
					More data for this Ligand-Target Pair