BDBM50511436 CHEMBL4578510

SMILES: CNc1cc(Nc2cccc(C)c2C)nc(N)n1

InChI Key: InChIKey=JDEFXJIIKYRHNP-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 = 50511436   

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
7,8-dihydro-8-oxoguanine triphosphatase (Homo sapiens (Human))	BDBM50511436 (CHEMBL4578510) Show SMILES CNc1cc(Nc2cccc(C)c2C)nc(N)n1 Show InChI InChI=1S/C13H17N5/c1-8-5-4-6-10(9(8)2)16-12-7-11(15-3)17-13(14)18-12/h4-7H,1-3H3,(H4,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...				ACS Med Chem Lett 11: 358-364 (2020) Article DOI: 10.1021/acsmedchemlett.9b00420
					More data for this Ligand-Target Pair