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BDBM50090687 CHEMBL3581715

SMILES: COc1ccc(NS(=O)(=O)c2cc3CCN(CCc4ccccc4)c3c(NC(C)=O)c2)cc1

InChI Key: InChIKey=AEIAQTQSFDKUPO-CSDJQUKGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090687   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))		BDBM50090687
PNG
(CHEMBL3581715)
Show SMILES COc1ccc(NS(=O)(=O)c2cc3CCN(CCc4ccccc4)c3c(NC(C)=O)c2)cc1
Show InChI InChI=1S/C19H23N5O4/c1-10(2)11-5-3-4-6-12(11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(27)15(26)13(7-25)28-19/h3-6,8-10,13,15-16,19,25-27H,7H2,1-2H3,(H,20,21,23)/t13?,15?,16?,19-/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/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