BDBM50425062 CHEMBL2172296

SMILES: CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN=[N+]=[N-])c(=O)c2c1

InChI Key: InChIKey=VQVWPZPBKLGGKL-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 = 50425062   

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))	BDBM50425062 (CHEMBL2172296) Show SMILES CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN=[N+]=[N-])c(=O)c2c1 Show InChI InChI=1S/C21H17N5O3/c1-12(27)24-13-7-8-14-17(11-13)21(29)26(10-4-9-23-25-22)19-15-5-2-3-6-16(15)20(28)18(14)19/h2-3,5-8,11H,4,9-10H2,1H3,(H,24,27)	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