BDBM50388588 CHEMBL2059758

SMILES: [O-][N+](=O)c1ccc2c3C(=O)c4cc(ccc4-c3n(CCCNS(=O)(=O)c3ccccc3)c(=O)c2c1)-c1ccccc1

InChI Key: InChIKey=DFAJTGOEQLSHPD-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 = 50388588   

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))	BDBM50388588 (CHEMBL2059758) Show SMILES [O-][N+](=O)c1ccc2c3C(=O)c4cc(ccc4-c3n(CCCNS(=O)(=O)c3ccccc3)c(=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C31H23N3O6S/c35-30-26-18-21(20-8-3-1-4-9-20)12-14-25(26)29-28(30)24-15-13-22(34(37)38)19-27(24)31(36)33(29)17-7-16-32-41(39,40)23-10-5-2-6-11-23/h1-6,8-15,18-19,32H,7,16-17H2	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 human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...				J Med Chem 55: 4457-78 (2012) Article DOI: 10.1021/jm300335n BindingDB Entry DOI: 10.7270/Q2SB46TZ
					More data for this Ligand-Target Pair