Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50034941'   

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)	BDBM50034941 (6-[(2,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...) Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-5-4-11(24-2)6-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase				J Med Chem 39: 1271-80 (1996) Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50034941 (6-[(2,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...) Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-5-4-11(24-2)6-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.5	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)	BDBM50034941 (6-[(2,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...) Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(OC)c1 Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-5-4-11(24-2)6-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii				J Med Chem 38: 1778-85 (1995) BindingDB Entry DOI: 10.7270/Q2FB520T
					More data for this Ligand-Target Pair