Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50434818'   

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))	BDBM50434818 (CHEMBL2387094) Show SMILES Nc1nc(N)c2cc(CSC(=S)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)ccc2n1 Show InChI InChI=1S/C20H21N7O2S2/c21-18-16-11-13(1-6-17(16)23-19(22)24-18)12-31-20(30)26-9-7-25(8-10-26)14-2-4-15(5-3-14)27(28)29/h1-6,11H,7-10,12H2,(H4,21,22,23,24)	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	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Capital Normal University Curated by ChEMBL					Assay Description Inhibition of human dihydrofolate reductase by spectrophotometric analysis				Eur J Med Chem 64: 401-9 (2013) Article DOI: 10.1016/j.ejmech.2013.04.017 BindingDB Entry DOI: 10.7270/Q20P11F4
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