BDBM50549530 CHEMBL4788892

SMILES COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C

InChI Key InChIKey=SPDXVIKELDWSMA-UHFFFAOYSA-N

Data  3 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50549530   

TargetCytochrome P450 2B6(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50549530(CHEMBL4788892)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 3 mins followed by NADPH addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50549530(CHEMBL4788892)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 3 mins followed by NADPH addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50549530(CHEMBL4788892)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 3 mins followed by NADPH addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50549530(CHEMBL4788892)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 3 mins followed by NADPH addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetType-2 angiotensin II receptor(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50549530(CHEMBL4788892)
Affinity DataKi:  9.30nMAssay Description:Displacement of [125I]Sar-Ile-angiotensin 2 from human AT2 receptor expressed in HEK293 cells incubated for 240 mins by radiometric scintillation ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetType-2 angiotensin II receptor(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50549530(CHEMBL4788892)
Affinity DataKi:  9.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetType-1 angiotensin II receptor(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50549530(CHEMBL4788892)
Affinity DataKi: >3.00E+3nMAssay Description:Displacement of [125I]Sar-Ile-angiotensin 2 from human AT1 receptor expressed in HEK293 cells incubated for 240 mins by radiometric scintillation ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed