BDBM50395095 CHEMBL2164294

SMILES: O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1)c1ccccc1

InChI Key: InChIKey=BGUPIHQRGONFDU-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 = 50395095   

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))	BDBM50395095 (CHEMBL2164294) Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C28H22N4O4S3/c33-25(19-7-3-1-4-8-19)31-27(37)29-21-11-15-23(16-12-21)39(35,36)24-17-13-22(14-18-24)30-28(38)32-26(34)20-9-5-2-6-10-20/h1-18H,(H2,29,31,33,37)(H2,30,32,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	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
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