null

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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 223288   

TargetLeukotriene C4 synthase(Homo sapiens (Human))
Astrazeneca Ab

US Patent
LigandPNGBDBM223288((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...)copy SMILEScopy InChI
Affinity DataIC50: 0.248nMpH: 7.5Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W66JN5US Patent
TargetLeukotriene C4 synthase(Homo sapiens (Human))
Astrazeneca Ab

US Patent
LigandPNGBDBM223288((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...)copy SMILEScopy InChI
Affinity DataIC50: 7.80nMAssay Description:Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8XMWPubMed
TargetLeukotriene C4 synthase(Homo sapiens (Human))
Astrazeneca Ab

US Patent
LigandPNGBDBM223288((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...)copy SMILEScopy InChI
Affinity DataIC50: 0.25nMAssay Description:Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8XMWPubMed
TargetLeukotriene C4 synthase(Homo sapiens (Human))
Astrazeneca Ab

US Patent
LigandPNGBDBM223288((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...)copy SMILEScopy InChI
Affinity DataIC50: 0.248nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SJ1NPGUS Patent