BDBM50397045 CHEMBL485756

SMILES: NCc1cccc(COc2nc(N)nc3nc[nH]c23)c1

InChI Key: InChIKey=VHRDYCCJQBXLBG-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 = 50397045   

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
6-O-methylguanine-DNA methyltransferase (Homo sapiens (Human))	BDBM50397045 (CHEMBL485756) Show SMILES NCc1cccc(COc2nc(N)nc3nc[nH]c23)c1 Show InChI InChI=1S/C13H14N6O/c14-5-8-2-1-3-9(4-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of AGT in human HL60 cells assessed as AGT levels using [3H]AGT after 2 hrs				Bioorg Med Chem Lett 22: 6242-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.008 BindingDB Entry DOI: 10.7270/Q2F47Q7H
					More data for this Ligand-Target Pair