BDBM50425080 CHEMBL2312912

SMILES: COC(=O)CCCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(C)c(=O)c2c1

InChI Key: InChIKey=ZGDYAGUMVCOFJB-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 = 50425080   

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))	BDBM50425080 (CHEMBL2312912) Show SMILES COC(=O)CCCC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(C)c(=O)c2c1 Show InChI InChI=1S/C23H20N2O5/c1-25-21-15-6-3-4-7-16(15)22(28)20(21)14-11-10-13(12-17(14)23(25)29)24-18(26)8-5-9-19(27)30-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,24,26)	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