Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM50064043'   

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)	BDBM50064043 (7-(2,6-Dichloro-benzyl)-5,6,7,8-tetrahydro-pyrido[...) Show SMILES Nc1nc(N)c2c3CCN(Cc4c(Cl)cccc4Cl)Cc3oc2n1 Show InChI InChI=1S/C16H15Cl2N5O/c17-10-2-1-3-11(18)9(10)6-23-5-4-8-12(7-23)24-15-13(8)14(19)21-16(20)22-15/h1-3H,4-7H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of T. gondii Dihydrofolate reductase				J Med Chem 41: 1409-16 (1998) Article DOI: 10.1021/jm9705420 BindingDB Entry DOI: 10.7270/Q2513XB9
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