BDBM50549394 CHEMBL4763436

SMILES Cc1sc(NC(=O)Cc2cccc(NS(C)(=O)=O)c2)nc1-c1c[nH]c2ncccc12

InChI Key InChIKey=LEVKWDVMEOUOOQ-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 = 50549394   

TargetRho-associated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50549394(CHEMBL4763436)
Affinity DataKi:  52nMAssay 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
LigandPNGBDBM50549394(CHEMBL4763436)
Affinity DataIC50: 5.00E+3nMAssay 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