Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50134317'   

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))	BDBM50134317 (CHEMBL3747216) Show SMILES Cc1nc2ccc(Nc3nc(NCCN4CCOCC4)nc(Nc4ccc(F)cc4)n3)cc2n1Cc1ccccc1 Show InChI InChI=1S/C30H32FN9O/c1-21-33-26-12-11-25(19-27(26)40(21)20-22-5-3-2-4-6-22)35-30-37-28(32-13-14-39-15-17-41-18-16-39)36-29(38-30)34-24-9-7-23(31)8-10-24/h2-12,19H,13-18,20H2,1H3,(H3,32,34,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Thapar University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR expressed in Escherichia coli by spectrophotometric analysis				Bioorg Med Chem Lett 26: 518-23 (2016) Article DOI: 10.1016/j.bmcl.2015.11.083 BindingDB Entry DOI: 10.7270/Q25T3NBX
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