BDBM227637 MTH1 inhibitor, 131

SMILES: C\C(CO)=C/CNc1ncnc2[nH]cnc12

InChI Key: InChIKey=UZKQTCBAMSWPJD-FARCUNLSSA-N

Data: 2 IC50

PDB links: 10 PDB IDs match this monomer.

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 = 227637   

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))	BDBM227637 (MTH1 inhibitor, 131) Show SMILES C\C(CO)=C/CNc1ncnc2[nH]cnc12 Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20E+4	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))	BDBM227637 (MTH1 inhibitor, 131) Show SMILES C\C(CO)=C/CNc1ncnc2[nH]cnc12 Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40E+4	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