BDBM50269727 CHEMBL4076609

SMILES: NS(=O)(=O)c1cc(ccc1Cl)-c1csc(n1)C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=NWEBEZNDCKMTAX-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 = 50269727   

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))	BDBM50269727 (CHEMBL4076609) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)-c1csc(n1)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C17H12ClN3O5S2/c18-12-5-4-9(7-14(12)28(19,25)26)13-8-27-16(21-13)15(22)20-11-3-1-2-10(6-11)17(23)24/h1-8H,(H,20,22)(H,23,24)(H2,19,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+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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