BDBM50549389 CHEMBL4746642

SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)c1

InChI Key InChIKey=IMFROXSZXWNETH-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 = 50549389   

TargetRho-associated protein kinase 1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50549389BDBM50549389(CHEMBL4746642)
Affinity DataKi:  22nMAssay 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
LigandChemical structure of BindingDB Monomer ID 50549389BDBM50549389(CHEMBL4746642)
Affinity DataIC50: 3.50E+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