Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50049897'   

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))	BDBM50049897 (8-Ethyl-7-(1-ethyl-propyl)-7H-pyrrolo[3,2-f]quinaz...) Show SMILES CCC(CC)n1c(CC)cc2c1ccc1nc(N)nc(N)c21 Show InChI InChI=1S/C17H23N5/c1-4-10(5-2)22-11(6-3)9-12-14(22)8-7-13-15(12)16(18)21-17(19)20-13/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant Dihydrofolate reductase enzyme				J Med Chem 39: 892-903 (1996) Article DOI: 10.1021/jm9505122 BindingDB Entry DOI: 10.7270/Q2XD10RC
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