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BDBM50519573 CHEMBL4456770

SMILES: COc1nc(ncc1N(CC1CC1)c1ccc(Cl)c2ccccc12)C(=O)[C@@H]1C[C@H]1C(O)=O

InChI Key: InChIKey=DDLXCVVUOUQRRH-IAGOWNOFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519573   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM50519573
PNG
(CHEMBL4456770)
Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(Cl)c2ccccc12)C(=O)[C@@H]1C[C@H]1C(O)=O
Show InChI InChI=1S/C24H22ClN3O4/c1-32-23-20(11-26-22(27-23)21(29)16-10-17(16)24(30)31)28(12-13-6-7-13)19-9-8-18(25)14-4-2-3-5-15(14)19/h2-5,8-9,11,13,16-17H,6-7,10,12H2,1H3,(H,30,31)/t16-,17-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 16n/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