BDBM50062814 5-Nitro-6-(pyridin-2-ylmethoxy)-pyrimidine-2,4-diamine::CHEMBL358146

SMILES: Nc1nc(N)c(c(OCc2ccccn2)n1)[N+]([O-])=O

InChI Key: InChIKey=QBTJCYMBEOZPEL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50062814   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50062814 (5-Nitro-6-(pyridin-2-ylmethoxy)-pyrimidine-2,4-dia...) Show SMILES Nc1nc(N)c(c(OCc2ccccn2)n1)[N+]([O-])=O Show InChI InChI=1S/C10H10N6O3/c11-8-7(16(17)18)9(15-10(12)14-8)19-5-6-3-1-2-4-13-6/h1-4H,5H2,(H4,11,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	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