Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM20678'   

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)	BDBM20678 (2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H,4H,5H-p...) Show SMILES Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccncc1 Show InChI InChI=1S/C13H13N5O/c1-8-6-10-11(12(19)17-13(14)16-10)18(8)7-9-2-4-15-5-3-9/h2-6H,7H2,1H3,(H3,14,16,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...				J Med Chem 51: 68-76 (2008) Article DOI: 10.1021/jm701052u BindingDB Entry DOI: 10.7270/Q2057D6N
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM20678 (2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H,4H,5H-p...) Show SMILES Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccncc1 Show InChI InChI=1S/C13H13N5O/c1-8-6-10-11(12(19)17-13(14)16-10)18(8)7-9-2-4-15-5-3-9/h2-6H,7H2,1H3,(H3,14,16,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...				J Med Chem 51: 68-76 (2008) Article DOI: 10.1021/jm701052u BindingDB Entry DOI: 10.7270/Q2057D6N
					More data for this Ligand-Target Pair