Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50029769'   

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)	BDBM50029769 (6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-5-methyl-thieno...) Show SMILES COc1ccc(OC)c(CCc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H20N4O2S/c1-9-13(24-16-14(9)15(18)20-17(19)21-16)7-4-10-8-11(22-2)5-6-12(10)23-3/h5-6,8H,4,7H2,1-3H3,(H4,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibitory activity was determined against dihydrofolate reductase in Pneumocystis carinii .				J Med Chem 38: 4739-59 (1996) BindingDB Entry DOI: 10.7270/Q26D5S01
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50029769 (6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-5-methyl-thieno...) Show SMILES COc1ccc(OC)c(CCc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H20N4O2S/c1-9-13(24-16-14(9)15(18)20-17(19)21-16)7-4-10-8-11(22-2)5-6-12(10)23-3/h5-6,8H,4,7H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase in pneumocystis carinii.				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50029769 (6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-5-methyl-thieno...) Show SMILES COc1ccc(OC)c(CCc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H20N4O2S/c1-9-13(24-16-14(9)15(18)20-17(19)21-16)7-4-10-8-11(22-2)5-6-12(10)23-3/h5-6,8H,4,7H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 dihydrofolate reductase in pneumocystis carinii.				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50029769 (6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-5-methyl-thieno...) Show SMILES COc1ccc(OC)c(CCc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H20N4O2S/c1-9-13(24-16-14(9)15(18)20-17(19)21-16)7-4-10-8-11(22-2)5-6-12(10)23-3/h5-6,8H,4,7H2,1-3H3,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase.				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50029769 (6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-5-methyl-thieno...) Show SMILES COc1ccc(OC)c(CCc2sc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C17H20N4O2S/c1-9-13(24-16-14(9)15(18)20-17(19)21-16)7-4-10-8-11(22-2)5-6-12(10)23-3/h5-6,8H,4,7H2,1-3H3,(H4,18,19,20,21)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Tested for inhibitory activity against dihydrofolate reductase in human				J Med Chem 36: 3103-12 (1993) BindingDB Entry DOI: 10.7270/Q23X85PX
					More data for this Ligand-Target Pair