Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50049576'   

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)	BDBM50049576 (6-{[(2-Chloro-phenyl)-methyl-amino]-methyl}-pyrido...) Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccccc1Cl Show InChI InChI=1S/C15H15ClN6/c1-22(12-5-3-2-4-10(12)16)8-9-6-7-11-13(19-9)14(17)21-15(18)20-11/h2-7H,8H2,1H3,(H4,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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)	BDBM50049576 (6-{[(2-Chloro-phenyl)-methyl-amino]-methyl}-pyrido...) Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccccc1Cl Show InChI InChI=1S/C15H15ClN6/c1-22(12-5-3-2-4-10(12)16)8-9-6-7-11-13(19-9)14(17)21-15(18)20-11/h2-7H,8H2,1H3,(H4,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase.				J Med Chem 39: 1836-45 (1996) Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB
					More data for this Ligand-Target Pair