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BDBM223288 (1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-5-(trifluoromethyl)phenyl]amino}-3-methoxypyrazin-2-yl)carbonyl]cyclopropanecarboxylic acid::US20160326143, 63

SMILES: COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F

InChI Key: InChIKey=ACQYAZLJSNPFDC-RYUDHWBXSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 223288   
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)
BDBM223288
PNG
((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...)
Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a 0.248n/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-v...


US Patent US20160326143 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JN5
More data for this
Ligand-Target Pair