BDBM50378650 CHEMBL604913

SMILES: Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc(ccc3c2)C(O)=O)cc1S([O-])(=O)=O

InChI Key: InChIKey=VYHIUJIQSZNMKC-UHFFFAOYSA-M

Data: 1 KI

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 = 50378650   

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
Ecto-5'-nucleotidase (e5'NT) (Rattus norvegicus (Rat))	BDBM50378650 (CHEMBL604913) Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3cc(ccc3c2)C(O)=O)cc1S([O-])(=O)=O Show InChI InChI=1S/C25H16N2O7S/c26-22-19(35(32,33)34)11-18(20-21(22)24(29)17-4-2-1-3-16(17)23(20)28)27-15-8-7-12-9-14(25(30)31)6-5-13(12)10-15/h1-11,27H,26H2,(H,30,31)(H,32,33,34)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method				J Med Chem 53: 2076-86 (2010) Article DOI: 10.1021/jm901851t BindingDB Entry DOI: 10.7270/Q2DZ097V
					More data for this Ligand-Target Pair