BDBM50090651 CHEMBL3581729

SMILES: Fc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)c(c2)N2CCCC2=O)c(F)c1

InChI Key: InChIKey=CYIUIMKOFADWOH-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 = 50090651   

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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090651 (CHEMBL3581729) Show SMILES Fc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)c(c2)N2CCCC2=O)c(F)c1 Show InChI InChI=1S/C24H21F2N3O5S/c25-17-8-10-20(19(26)13-17)28-35(32,33)18-9-11-21(22(14-18)29-12-4-7-23(29)30)27-24(31)34-15-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,28H,4,7,12,15H2,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair