BDBM50035880 CHEMBL1437990

SMILES: Nc1nc(SCCc2ccccc2)c2nc[nH]c2n1

InChI Key: InChIKey=PAAAKNYXXIVNCJ-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 = 50035880   

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))	BDBM50035880 (CHEMBL1437990) Show SMILES Nc1nc(SCCc2ccccc2)c2nc[nH]c2n1 Show InChI InChI=1S/C13H13N5S/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 60: 8160-8169 (2017) Article DOI: 10.1021/acs.jmedchem.7b01006 BindingDB Entry DOI: 10.7270/Q2PV6NJR
					More data for this Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα) (Homo sapiens (Human))	BDBM50035880 (CHEMBL1437990) Show SMILES Nc1nc(SCCc2ccccc2)c2nc[nH]c2n1 Show InChI InChI=1S/C13H13N5S/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry				Bioorg Med Chem Lett 24: 5762-8 (2014) Article DOI: 10.1016/j.bmcl.2014.10.042 BindingDB Entry DOI: 10.7270/Q24Q7WMK
					More data for this Ligand-Target Pair