BDBM50397327 CHEMBL2170162

SMILES: Oc1ccc(\C=C2/N(Cc3ccccc3)C(=S)NC2=O)cc1O

InChI Key: InChIKey=FYSHTIHNVJURMR-JYRVWZFOSA-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 = 50397327   

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))	BDBM50397327 (CHEMBL2170162) Show SMILES Oc1ccc(\C=C2/N(Cc3ccccc3)C(=S)NC2=O)cc1O Show InChI InChI=1S/C17H14N2O3S/c20-14-7-6-12(9-15(14)21)8-13-16(22)18-17(23)19(13)10-11-4-2-1-3-5-11/h1-9,20-21H,10H2,(H,18,22,23)/b13-8-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...				J Med Chem 55: 8671-84 (2012) Article DOI: 10.1021/jm3008773 BindingDB Entry DOI: 10.7270/Q2MP54D1
					More data for this Ligand-Target Pair