Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50033554'   

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)	BDBM50033554 (6-[(2,5-Dichloro-phenylamino)-methyl]-5,6,7,8-tetr...) Show SMILES Nc1nc(N)c2CC(CNc3cc(Cl)ccc3Cl)CCc2n1 Show InChI InChI=1S/C15H17Cl2N5/c16-9-2-3-11(17)13(6-9)20-7-8-1-4-12-10(5-8)14(18)22-15(19)21-12/h2-3,6,8,20H,1,4-5,7H2,(H4,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	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)	BDBM50033554 (6-[(2,5-Dichloro-phenylamino)-methyl]-5,6,7,8-tetr...) Show SMILES Nc1nc(N)c2CC(CNc3cc(Cl)ccc3Cl)CCc2n1 Show InChI InChI=1S/C15H17Cl2N5/c16-9-2-3-11(17)13(6-9)20-7-8-1-4-12-10(5-8)14(18)22-15(19)21-12/h2-3,6,8,20H,1,4-5,7H2,(H4,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against purified DHFR (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