Compile Data Set for Download or QSAR
Report error Found 18 Enz. Inhib. hit(s) with all data for entry = 50012766
TargetCytochrome P450 1A2(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50014323(CHEMBL283196 | alpha-naphthoflavone | 2-PHENYL-4H-...)
Affinity DataIC50: 18nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 44nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 69nMAssay 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
TargetAmine oxidase [flavin-containing] B(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560041(Sutezolid | Oxazolidininone | U-100480 | NSC-74240...)
Affinity DataIC50: 700nMAssay 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
TargetCytochrome P450 2C9(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50090677(CHEMBL1109 | 4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-...)
Affinity DataIC50: 770nMAssay 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
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
TargetCytochrome P450 2C19(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50240772((1R,2S)-2-phenylcyclopropanamine | cid_2723716 | (...)
Affinity DataIC50: 5.86E+3nMAssay 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
TargetAmine oxidase [flavin-containing] A(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560041(Sutezolid | Oxazolidininone | U-100480 | NSC-74240...)
Affinity DataIC50: 1.30E+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
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
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560040(CHEMBL4788708)
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
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 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 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
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
TargetAmine oxidase [flavin-containing] A(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50560040(CHEMBL4788708)
Affinity DataIC50: 1.00E+5nMAssay 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
LigandPNGBDBM50560040(CHEMBL4788708)
Affinity DataIC50: 1.00E+5nMAssay 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