Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM18486'   

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 (Cryptosporidium hominis)	BDBM18486 (5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidin...) Show SMILES COc1cc(\C=C\c2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C15H18N4O3/c1-20-11-6-9(7-12(21-2)13(11)22-3)4-5-10-8-18-15(17)19-14(10)16/h4-8H,1-3H3,(H4,16,17,18,19)/b5-4+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	7.0	25
Dartmouth College					Assay Description Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...				J Med Chem 50: 940-50 (2007) Article DOI: 10.1021/jm061027h BindingDB Entry DOI: 10.7270/Q2KH0KKQ
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