BDBM50152143 CHEMBL3781387

SMILES: CC(C)(C)COc1ccnc(N)n1

InChI Key: InChIKey=PTQHPLMDWAMNLZ-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 = 50152143   

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))	BDBM50152143 (CHEMBL3781387) Show SMILES CC(C)(C)COc1ccnc(N)n1 Show InChI InChI=1S/C9H15N3O/c1-9(2,3)6-13-7-4-5-11-8(10)12-7/h4-5H,6H2,1-3H3,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
MD Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay				Bioorg Med Chem Lett 26: 1503-7 (2016) BindingDB Entry DOI: 10.7270/Q20K2BF6
					More data for this Ligand-Target Pair