Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50034931'   

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)	BDBM50034931 (6-{[(2,5-Diethoxy-phenyl)-methyl-amino]-methyl}-5-...) Show SMILES CCOc1ccc(OCC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C20H26N6O2/c1-5-27-14-7-8-16(28-6-2)15(9-14)26(4)11-13-10-23-19-17(12(13)3)18(21)24-20(22)25-19/h7-10H,5-6,11H2,1-4H3,(H4,21,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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)	BDBM50034931 (6-{[(2,5-Diethoxy-phenyl)-methyl-amino]-methyl}-5-...) Show SMILES CCOc1ccc(OCC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C20H26N6O2/c1-5-27-14-7-8-16(28-6-2)15(9-14)26(4)11-13-10-23-19-17(12(13)3)18(21)24-20(22)25-19/h7-10H,5-6,11H2,1-4H3,(H4,21,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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)	BDBM50034931 (6-{[(2,5-Diethoxy-phenyl)-methyl-amino]-methyl}-5-...) Show SMILES CCOc1ccc(OCC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C20H26N6O2/c1-5-27-14-7-8-16(28-6-2)15(9-14)26(4)11-13-10-23-19-17(12(13)3)18(21)24-20(22)25-19/h7-10H,5-6,11H2,1-4H3,(H4,21,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	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