BDBM50090648 CHEMBL3581732

SMILES: Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)OCc4ccccc4)c3c(c2)N2CCCNC2=O)c(F)c1

InChI Key: InChIKey=JSXQEOJSLGGGSN-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 = 50090648   

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))	BDBM50090648 (CHEMBL3581732) Show SMILES Fc1ccc(NS(=O)(=O)c2cc3CCN(C(=O)OCc4ccccc4)c3c(c2)N2CCCNC2=O)c(F)c1 Show InChI InChI=1S/C26H24F2N4O5S/c27-19-7-8-22(21(28)14-19)30-38(35,36)20-13-18-9-12-32(26(34)37-16-17-5-2-1-3-6-17)24(18)23(15-20)31-11-4-10-29-25(31)33/h1-3,5-8,13-15,30H,4,9-12,16H2,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	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