BDBM50152136 CHEMBL3781282

SMILES: CC(C)(CO)CNc1ccnc(N)n1

InChI Key: InChIKey=ZZTHFOPETQWCOW-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50152136   

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))	BDBM50152136 (CHEMBL3781282) Show SMILES CC(C)(CO)CNc1ccnc(N)n1 Show InChI InChI=1S/C9H16N4O/c1-9(2,6-14)5-12-7-3-4-11-8(10)13-7/h3-4,14H,5-6H2,1-2H3,(H3,10,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	332	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