BDBM50274084 CHEMBL4126051

SMILES: Clc1cc(Cl)cc(COC(=O)N2CCOC(CCNC(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1

InChI Key: InChIKey=BERLFRZCMMQNCL-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 = 50274084   

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))	BDBM50274084 (CHEMBL4126051) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCOC(CCNC(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 Show InChI InChI=1S/C22H21Cl2N3O6/c23-15-7-13(8-16(24)10-15)12-32-22(30)27-5-6-31-17(11-27)3-4-25-20(28)14-1-2-18-19(9-14)33-21(29)26-18/h1-2,7-10,17H,3-6,11-12H2,(H,25,28)(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair