BDBM50395087 CHEMBL2164284

SMILES: COc1cccc2cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c(=O)oc12

InChI Key: InChIKey=DOVOVWITCHWXJD-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50395087   

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))	BDBM50395087 (CHEMBL2164284) Show SMILES COc1cccc2cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c(=O)oc12 Show InChI InChI=1S/C17H14N2O6S/c1-24-14-4-2-3-10-9-13(17(21)25-15(10)14)16(20)19-11-5-7-12(8-6-11)26(18,22)23/h2-9H,1H3,(H,19,20)(H2,18,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL					Assay Description Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate				J Med Chem 55: 6576-81 (2012) Article DOI: 10.1021/jm300658n BindingDB Entry DOI: 10.7270/Q2DR2WNZ
					More data for this Ligand-Target Pair