BDBM50603411 CHEMBL5199889

SMILES CC(C)(C(=O)O)Sc1nc2c(n1Cc3ccc(c4c3cccc4)Br)cccn2

InChI Key InChIKey=VKHXJKYGFGXZSS-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50603411   

TargetSolute carrier family 22 member 12(Human)
Shandong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50603411BDBM50603411(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
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50603411BDBM50603411(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
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50603411BDBM50603411(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 3A4(Human)
Shandong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50603411BDBM50603411(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
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50603411BDBM50603411(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
LigandChemical structure of BindingDB Monomer ID 50603411BDBM50603411(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