BDBM50542021 CHEMBL4632591

SMILES COc1ccc(C(=O)N2C[C@@H](C)N([C@H](C)C2)C(=O)c2cc(OC)ccc2F)c(F)c1

InChI Key InChIKey=UKWJGDDXACZYEM-ZIAGYGMSSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50542021   

TargetCarbamoyl-phosphate synthase [ammonia], mitochondrial(Homo sapiens)
H3 Biomedicine

Curated by ChEMBL
LigandPNGBDBM50542021(CHEMBL4632591)
Affinity DataIC50:  5.10E+3nMAssay Description:Allosteric inhibition of His-tagged CPS1 (unknown origin) expressed in baculovirus infected Sf21 insect cells assessed as reduction in ADP level prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed