BDBM50269712 CHEMBL4086132

SMILES: Oc1ccc(cc1O)-c1csc(Nc2cccc(CC(=O)NCc3ccccc3)c2)n1

InChI Key: InChIKey=QIJREDMIJNNXKY-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 = 50269712   

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))	BDBM50269712 (CHEMBL4086132) Show SMILES Oc1ccc(cc1O)-c1csc(Nc2cccc(CC(=O)NCc3ccccc3)c2)n1 Show InChI InChI=1S/C24H21N3O3S/c28-21-10-9-18(13-22(21)29)20-15-31-24(27-20)26-19-8-4-7-17(11-19)12-23(30)25-14-16-5-2-1-3-6-16/h1-11,13,15,28-29H,12,14H2,(H,25,30)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.06E+3	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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