Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Methylated-DNA--protein-cysteine methyltransferase' and Ligand = 'BDBM50062817'   

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
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50062817 (6-(3-Fluoro-benzyloxy)-5-nitro-pyrimidine-2,4-diam...) Show SMILES Nc1nc(N)c(c(OCc2cccc(F)c2)n1)[N+]([O-])=O Show InChI InChI=1S/C11H10FN5O3/c12-7-3-1-2-6(4-7)5-20-10-8(17(18)19)9(13)15-11(14)16-10/h1-4H,5H2,(H4,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description In vitro inhibitory activity against human O6-alkylguanine-DNA alkyltransferase (AGAT)				J Med Chem 41: 503-8 (1998) Article DOI: 10.1021/jm970363i BindingDB Entry DOI: 10.7270/Q21G0KD5
					More data for this Ligand-Target Pair