BDBM50438899 CHEMBL2420514

SMILES: CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(Cc3ccccc3)c(=O)c2n1

InChI Key: InChIKey=XMHOQMWWBQSINS-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50438899   

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
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM50438899 (CHEMBL2420514) Show SMILES CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(Cc3ccccc3)c(=O)c2n1 Show InChI InChI=1S/C21H19N5O2/c1-3-14-9-11-16(12-10-14)18-22-17-19(25(2)24-18)23-21(28)26(20(17)27)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438899 (CHEMBL2420514) Show SMILES CCc1ccc(cc1)-c1nn(C)c2nc(=O)n(Cc3ccccc3)c(=O)c2n1 Show InChI InChI=1S/C21H19N5O2/c1-3-14-9-11-16(12-10-14)18-22-17-19(25(2)24-18)23-21(28)26(20(17)27)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
					More data for this Ligand-Target Pair