BDBM50549396 CHEMBL4752171

SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nccc(n2)-c2c[nH]c3ncccc23)c1

InChI Key InChIKey=UOSFMBAJZWYVBD-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50549396   

TargetRho-associated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50549396(CHEMBL4752171)
Affinity DataKi:  48nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50549396(CHEMBL4752171)
Affinity DataIC50: 4.80E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed