BDBM528084 N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[(2-oxopyridin-1- yl)methyl]phenyl}methyl)-3-(trifluoromethyl)pyrazole-4-carboxamide::US11180484, Example 6

SMILES COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F

InChI Key InChIKey=NKTBXDIJVDKJRR-UHFFFAOYSA-N

Data  23 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 528084   

TargetPlasma kallikrein(Homo sapiens (Human))
Kalvista Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM528084(N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[...)
Affinity DataIC50:  3.20nMAssay Description:Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-AFC as flurogenic substrate preincubated for 5 mins followed by substrate addition by flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Kalvista Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM528084(N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[...)
Affinity DataIC50: >3.30E+4nMAssay Description:Inhibition of hERG expressed in CHO cells by whole cell patch clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Kalvista Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM528084(N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes assessed as reduction in acetaminophen metabolite formation incubated for 30 mins in presence of NADPH...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Kalvista Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM528084(N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as reduction in 4 hydroxy-diclofenac metabolite formation incubated for 30 mins in presence o...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Kalvista Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM528084(N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes assessed as reduction in 4-hydroxymephenytoin metabolite formation incubated for 30 mins in presence ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Kalvista Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM528084(N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as reduction in dextrorphan metabolite formation incubated for 30 mins in presence of NADPH b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Kalvista Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM528084(N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6beta-hydroxymidazolam metabolite formation using midazolam as substrate incu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Kalvista Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM528084(N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6beta-hydroxytestosterone metabolite formation using testosterone as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetPlasma kallikrein(Homo sapiens (Human))
Kalvista Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM528084(N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-({4-[...)
Affinity DataIC50:  76nMAssay Description:Inhibition of DXS induced human whole plasma kallikrein using H-D-Pro-Phe-Arg-AFC as substrate preincubated for 5 mins followed by DXS stimulation by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed