Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50531790'   

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))	BDBM50531790 (CHEMBL4439025) Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(OC(F)(F)F)c2)c(N)n1 Show InChI InChI=1S/C15H17F3N6O/c16-15(17,18)25-11-3-1-2-10(8-11)23-4-6-24(7-5-23)12-9-21-14(20)22-13(12)19/h1-3,8-9H,4-7H2,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	819	n/a	n/a	n/a	n/a	n/a	n/a
Vyera Pharmaceuticals, LLC Curated by ChEMBL					Assay Description Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and...				J Med Chem 62: 1562-1576 (2019) Article DOI: 10.1021/acs.jmedchem.8b01754 BindingDB Entry DOI: 10.7270/Q2T43XJX
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