BDBM50425076 CHEMBL2312917

SMILES: COC(=O)CCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1

InChI Key: InChIKey=PGBGUWDZFWELFC-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 = 50425076   

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))	BDBM50425076 (CHEMBL2312917) Show SMILES COC(=O)CCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1 Show InChI InChI=1S/C29H31N3O7/c1-29(2,3)39-28(37)30-14-7-15-32-25-19-8-5-6-9-20(19)26(35)24(25)18-11-10-17(16-21(18)27(32)36)31-22(33)12-13-23(34)38-4/h5-6,8-11,16H,7,12-15H2,1-4H3,(H,30,37)(H,31,33)	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