Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50203235'   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50203235 (CHEMBL3963161) Show SMILES Nc1ncc(Cn2cc(-c3cccc(c3)C(F)(F)F)c3ccccc23)c(N)n1 Show InChI InChI=1S/C20H16F3N5/c21-20(22,23)14-5-3-4-12(8-14)16-11-28(17-7-2-1-6-15(16)17)10-13-9-26-19(25)27-18(13)24/h1-9,11H,10H2,(H4,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Turing Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR expressed in Escherichia coli preincubated for 15 mins followed by addition of DHF as substrate and NADPH measur...				ACS Med Chem Lett 7: 1124-1129 (2016) Article DOI: 10.1021/acsmedchemlett.6b00328 BindingDB Entry DOI: 10.7270/Q2Z60R1X
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