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SMILES: COCC1(CN(c2ccc(Cl)cc2)c2cnc(C(=O)C3CC3C(O)=O)c(OC)c2)CC1

InChI Key: InChIKey=ZQEARQIDUUXNGN-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 309975   
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))		BDBM309975
PNG
(US9657001, 4)
Show SMILES COCC1(CN(c2ccc(Cl)cc2)c2cnc(C(=O)C3CC3C(O)=O)c(OC)c2)CC1
Show InChI InChI=1S/C23H25ClN2O5/c1-30-13-23(7-8-23)12-26(15-5-3-14(24)4-6-15)16-9-19(31-2)20(25-11-16)21(27)17-10-18(17)22(28)29/h3-6,9,11,17-18H,7-8,10,12-13H2,1-2H3,(H,28,29)
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US Patent
n/an/a 263n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...

US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
More data for this
Ligand-Target Pair