BDBM223287 (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid::US20160326143, 62::US9657001, 62

SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F

InChI Key InChIKey=RVMWIVNHZMXEHS-UWVGGRQHSA-N

Data  9 IC50

  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 9 hits for monomerid = 223287   

TargetLeukotriene C4 synthase(Human)
Astrazeneca

US Patent
LigandPNGBDBM223287((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Affinity DataIC50:  0.289nMpH: 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
In DepthDetails US Patent


TargetLeukotriene C4 synthase(Human)
Astrazeneca

US Patent
LigandPNGBDBM223287((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Affinity DataIC50:  0.289nMAssay 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
In DepthDetails US Patent


TargetCytochrome P450 2D6(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM223287((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of recombinant human CYP2D6 using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetLeukotriene C4 synthase(Human)
Astrazeneca

US Patent
LigandPNGBDBM223287((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Affinity DataIC50:  10nMAssay 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
In DepthDetails ArticlePubMed

TargetLeukotriene C4 synthase(Human)
Astrazeneca

US Patent
LigandPNGBDBM223287((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Affinity DataIC50:  0.280nMAssay 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
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM223287((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of recombinant human CYP2C9 expressed in Escherichia coli using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM223287((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of recombinant human CYP2C19 using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM223287((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM223287((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of recombinant human CYP1A2 using coumarin based substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed