Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50041670'   

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 (Mus musculus (Mouse))	BDBM50041670 (2-{4-[2-(2-Amino-4-hydroxy-6,7-dihydro-5H-cyclopen...) Show SMILES Nc1nc2CCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C21H24N4O6/c22-21-24-14-8-7-12(17(14)19(29)25-21)4-1-11-2-5-13(6-3-11)18(28)23-15(20(30)31)9-10-16(26)27/h2-3,5-6,12,15H,1,4,7-10H2,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of dihydrofolate reductase in P388 cells				J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV
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