BDBM50269719 CHEMBL4101509

SMILES: CN(c1nc(cs1)-c1ccc(O)c(c1)C(O)=O)c1ccc2NS(=O)(=O)Cc2c1

InChI Key: InChIKey=RUSWFQQOEVJLTN-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 = 50269719   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269719 (CHEMBL4101509) Show SMILES CN(c1nc(cs1)-c1ccc(O)c(c1)C(O)=O)c1ccc2NS(=O)(=O)Cc2c1 Show InChI InChI=1S/C18H15N3O5S2/c1-21(12-3-4-14-11(6-12)9-28(25,26)20-14)18-19-15(8-27-18)10-2-5-16(22)13(7-10)17(23)24/h2-8,20,22H,9H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
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