BDBM50560039 CHEMBL4791225

SMILES [H][C@@]12COc3cc(N4CCSCC4)c(F)cc3N1C(=O)O[C@H]2CNC(C)=O

InChI Key InChIKey=WZAVWVAEARSISR-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50560039   

TargetCytochrome P450 1A2(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560039(CHEMBL4791225)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560039(CHEMBL4791225)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560039(CHEMBL4791225)
Affinity DataIC50: 4.82E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560039(CHEMBL4791225)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560039(CHEMBL4791225)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560039(CHEMBL4791225)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by whole cell manual patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560039(CHEMBL4791225)
Affinity DataIC50: 4.48E+4nMAssay Description:Inhibition of recombinant human MAOA expressed in baculovirus infected insect cells using kynuramine as substrate measured after 20 mins by LC-MS/MS ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560039(CHEMBL4791225)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of recombinant human MAOB expressed in baculovirus infected insect cells using kynuramine as substrate measured after 20 mins by LC-MS/MS ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed