BDBM50438872 CHEMBL2420499

SMILES: Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CCCCC3)c2c1

InChI Key: InChIKey=LSHWAMDLPHBFJF-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50438872   

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))	BDBM50438872 (CHEMBL2420499) Show SMILES Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CCCCC3)c2c1 Show InChI InChI=1S/C17H16ClN3O2/c18-11-7-6-10-8-13-15(19-17(23)20-16(13)22)21(14(10)9-11)12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,20,22,23)	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))	BDBM50438872 (CHEMBL2420499) Show SMILES Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CCCCC3)c2c1 Show InChI InChI=1S/C17H16ClN3O2/c18-11-7-6-10-8-13-15(19-17(23)20-16(13)22)21(14(10)9-11)12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,20,22,23)	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	>3.00E+4	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
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM50438872 (CHEMBL2420499) Show SMILES Clc1ccc2cc3c(nc(=O)[nH]c3=O)n(C3CCCCC3)c2c1 Show InChI InChI=1S/C17H16ClN3O2/c18-11-7-6-10-8-13-15(19-17(23)20-16(13)22)21(14(10)9-11)12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,20,22,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' 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