BDBM50016168 CHEMBL3261818

SMILES: COc1cc2c(cc1OCCCN1CCCC1)c1C(=O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O

InChI Key: InChIKey=LEMAYIHMAVJSAG-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 = 50016168   

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))	BDBM50016168 (CHEMBL3261818) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)c1C(=O)c3cc4OCOc4cc3-c1n(CCCN1CCOCC1)c2=O Show InChI InChI=1S/C32H37N3O7/c1-38-25-19-24-21(16-26(25)40-13-5-9-33-6-2-3-7-33)29-30(22-17-27-28(42-20-41-27)18-23(22)31(29)36)35(32(24)37)10-4-8-34-11-14-39-15-12-34/h16-19H,2-15,20H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis				J Med Chem 57: 4324-36 (2014) Article DOI: 10.1021/jm500294a BindingDB Entry DOI: 10.7270/Q2HM5B0H
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