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SMILES: COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(Cl)cc1

InChI Key: InChIKey=JWNHRFABLXTBBS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 309984   
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))		BDBM309984
PNG
(2-(5-((4-Chlorobenzyl)(cyclopropylmethyl)amino)-3-...)
Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN2O4/c1-29-19-8-16(10-24-20(19)21(26)17-9-18(17)22(27)28)25(11-13-2-3-13)12-14-4-6-15(23)7-5-14/h4-8,10,13,17-18H,2-3,9,11-12H2,1H3,(H,27,28)
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US Patent
n/an/a 34n/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