BDBM50425059 CHEMBL2172300

SMILES: OCCCn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O

InChI Key: InChIKey=GRORVRSZQOTNEV-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 = 50425059   

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
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50425059 (CHEMBL2172300) Show SMILES OCCCn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)[N+]([O-])=O Show InChI InChI=1S/C19H14N2O5/c22-9-3-8-20-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21(25)26)10-15(12)19(20)24/h1-2,4-7,10,22H,3,8-9H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...				J Med Chem 56: 182-200 (2013) Article DOI: 10.1021/jm3014458 BindingDB Entry DOI: 10.7270/Q2MS3V3Z
					More data for this Ligand-Target Pair