BDBM50269711 CHEMBL4100425

SMILES: Oc1ccc(cc1O)-c1csc(Nc2cccc(NC(=O)OCc3ccccc3)c2)n1

InChI Key: InChIKey=OAARVBMNOLRHMU-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 = 50269711   

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))	BDBM50269711 (CHEMBL4100425) Show SMILES Oc1ccc(cc1O)-c1csc(Nc2cccc(NC(=O)OCc3ccccc3)c2)n1 Show InChI InChI=1S/C23H19N3O4S/c27-20-10-9-16(11-21(20)28)19-14-31-22(26-19)24-17-7-4-8-18(12-17)25-23(29)30-13-15-5-2-1-3-6-15/h1-12,14,27-28H,13H2,(H,24,26)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.43E+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
					More data for this Ligand-Target Pair