BDBM227631 MTH1 inhibitor, 14

SMILES: C(Cc1ccccc1)Nc1ncnc2[nH]cnc12

InChI Key: InChIKey=GPGPFPKQCMKMDY-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 = 227631   

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))	BDBM227631 (MTH1 inhibitor, 14) Show SMILES C(Cc1ccccc1)Nc1ncnc2[nH]cnc12 Show InChI InChI=1S/C13H13N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	7.5	n/a
RIKEN Center for Life Science Technologies					Assay Description Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...				Chem Biol Drug Des 89: 862-869 (2017) Article DOI: 10.1111/cbdd.12909 BindingDB Entry DOI: 10.7270/Q24748RZ
					More data for this Ligand-Target Pair
MutT homolog 1 protein (MTH1) (Homo sapiens (Human))	BDBM227631 (MTH1 inhibitor, 14) Show SMILES C(Cc1ccccc1)Nc1ncnc2[nH]cnc12 Show InChI InChI=1S/C13H13N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	7.5	n/a
RIKEN Center for Life Science Technologies					Assay Description Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...				Chem Biol Drug Des 89: 862-869 (2017) Article DOI: 10.1111/cbdd.12909 BindingDB Entry DOI: 10.7270/Q24748RZ
					More data for this Ligand-Target Pair