BDBM50180954 CHEMBL3819488

SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CC(=O)NCCCCCC(=O)N(C)Cc3ccc(cc3)C(=O)c3cc(O)c(O)c(c3)[N+]([O-])=O)NC(=O)c3ccc(cc3)N=[N+]=[N-])[C@@]1([H])NC(=O)N2

InChI Key InChIKey=XTHZOGHSFFUXRN-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 50180954   

TargetLanosterol synthase(Rat)
Caprotec Bioanalytics

Curated by ChEMBL
LigandPNGBDBM50180954(CHEMBL3819488)
Affinity DataIC50: 648nMAssay Description:Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2017
Entry Details Article
PubMed