Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50033549'   

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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50033549 (6-[(2,5-Dimethoxy-phenylamino)-methyl]-5,6,7,8-tet...) Show SMILES COc1ccc(OC)c(NCC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C17H23N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h4,6,8,10,20H,3,5,7,9H2,1-2H3,(H4,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested				J Med Chem 42: 1007-17 (1999) Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50033549 (6-[(2,5-Dimethoxy-phenylamino)-methyl]-5,6,7,8-tet...) Show SMILES COc1ccc(OC)c(NCC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C17H23N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h4,6,8,10,20H,3,5,7,9H2,1-2H3,(H4,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50033549 (6-[(2,5-Dimethoxy-phenylamino)-methyl]-5,6,7,8-tet...) Show SMILES COc1ccc(OC)c(NCC2CCc3nc(N)nc(N)c3C2)c1 Show InChI InChI=1S/C17H23N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h4,6,8,10,20H,3,5,7,9H2,1-2H3,(H4,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified Dihydrofolate reductase from Toxoplasma gondii.				J Med Chem 38: 3660-8 (1995) BindingDB Entry DOI: 10.7270/Q27080FN
					More data for this Ligand-Target Pair