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SMILES: COc1ccccc1C(=O)Nc1ccc(cc1C(O)=O)C(=O)c1ccc(cn1)N(C)c1ccc(Cl)cc1

InChI Key: InChIKey=LTLCYYDJZIBGJD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519581   
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
Leukotriene C4 synthase


(Homo sapiens (Human))		BDBM50519581
PNG
(CHEMBL4460916)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1C(O)=O)C(=O)c1ccc(cn1)N(C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H22ClN3O5/c1-32(19-10-8-18(29)9-11-19)20-12-14-24(30-16-20)26(33)17-7-13-23(22(15-17)28(35)36)31-27(34)21-5-3-4-6-25(21)37-2/h3-16H,1-2H3,(H,31,34)(H,35,36)
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n/an/a 35n/an/an/an/an/an/a



Orexo AB

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...

J Med Chem 62: 7769-7787 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00555
More data for this
Ligand-Target Pair