BDBM50068791 6-(Pyridin-3-ylmethoxy)-6,9-dihydro-1H-purin-2-ylamine::CHEMBL342497

SMILES: NC1=Nc2nc[nH]c2C(N1)OCc1cccnc1

InChI Key: InChIKey=SJOIWVDGYXOEFD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50068791   

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))	BDBM50068791 (6-(Pyridin-3-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cccnc1 |t:1| Show InChI InChI=1S/C11H12N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h1-4,6,10H,5H2,(H,14,15)(H3,12,16,17)	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	430	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
6-O-methylguanine-DNA methyltransferase (Homo sapiens (Human))	BDBM50068791 (6-(Pyridin-3-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cccnc1 |t:1| Show InChI InChI=1S/C11H12N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h1-4,6,10H,5H2,(H,14,15)(H3,12,16,17)	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	220	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair