Compile Data Set for Download or QSAR
Report error Found 19 Enz. Inhib. hit(s) with all data for entry = 50017616
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 36nMAssay Description:Inhibition of CYP3A4M in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Affinity DataIC50: 156nMAssay Description:Inhibition of CYP2D6 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50207551(CHEMBL3977345)
Affinity DataIC50: 208nMAssay Description:Inhibition of CYP2C19 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50014323(CHEMBL283196 | alpha-naphthoflavone | 2-PHENYL-4H-...)
Affinity DataIC50: 431nMAssay Description:Inhibition of CYP1A2 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50090677(CHEMBL1109 | 4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-...)
Affinity DataIC50: 656nMAssay Description:Inhibition of CYP2C9 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603411(CHEMBL5199889)
Affinity DataIC50: 1.36E+3nMAssay Description:Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603409(CHEMBL5175070)
Affinity DataIC50: 2.49E+3nMAssay Description:Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603412(CHEMBL5175653)
Affinity DataIC50: 2.57E+3nMAssay Description:Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603414(CHEMBL5200839)
Affinity DataIC50: 3.06E+3nMAssay Description:Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603410(CHEMBL5200105)
Affinity DataIC50: 3.55E+3nMAssay Description:Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603416(CHEMBL5196337)
Affinity DataIC50: 3.67E+3nMAssay Description:Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603413(CHEMBL5191410)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603415(CHEMBL5179331)
Affinity DataIC50: 4.94E+3nMAssay Description:Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603411(CHEMBL5199889)
Affinity DataIC50: 5.22E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM37953(US10093631, Compound Lesinurad | US10336710, Lesin...)
Affinity DataIC50: 5.54E+3nMAssay Description:Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid sc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603411(CHEMBL5199889)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603411(CHEMBL5199889)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603411(CHEMBL5199889)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50603411(CHEMBL5199889)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4M in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed