BDBM50152122 CHEMBL3780535

SMILES: Nc1nccc(OCC2(CO)CC2)n1

InChI Key: InChIKey=FFJBICRSHOOPBC-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 = 50152122   

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
MutT homolog 1 protein (MTH1) (Homo sapiens (Human))	BDBM50152122 (CHEMBL3780535) Show SMILES Nc1nccc(OCC2(CO)CC2)n1 Show InChI InChI=1S/C9H13N3O2/c10-8-11-4-1-7(12-8)14-6-9(5-13)2-3-9/h1,4,13H,2-3,5-6H2,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of MTH1 in human U2OS cells assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate after 1 hr by PPiLight assay				Bioorg Med Chem Lett 26: 1503-7 (2016) BindingDB Entry DOI: 10.7270/Q20K2BF6
					More data for this Ligand-Target Pair