Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50033555'   

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)	BDBM50033555 (6-{[Prop-2-ynyl-(3,4,5-trimethoxy-phenyl)-amino]-m...) Show SMILES COc1cc(cc(OC)c1OC)N(CC#C)CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C21H27N5O3/c1-5-8-26(14-10-17(27-2)19(29-4)18(11-14)28-3)12-13-6-7-16-15(9-13)20(22)25-21(23)24-16/h1,10-11,13H,6-9,12H2,2-4H3,(H4,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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)	BDBM50033555 (6-{[Prop-2-ynyl-(3,4,5-trimethoxy-phenyl)-amino]-m...) Show SMILES COc1cc(cc(OC)c1OC)N(CC#C)CC1CCc2nc(N)nc(N)c2C1 Show InChI InChI=1S/C21H27N5O3/c1-5-8-26(14-10-17(27-2)19(29-4)18(11-14)28-3)12-13-6-7-16-15(9-13)20(22)25-21(23)24-16/h1,10-11,13H,6-9,12H2,2-4H3,(H4,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	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