BDBM50126144 CHEMBL3629569::US10155972, Compound NewLink 1::US10233190, Example 1304

SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1

InChI Key InChIKey=YTRRAUACYORZLX-UHFFFAOYSA-N

Data  1 KI  21 IC50  1 Kd  3 EC50

PDB links: 2 PDB IDs match this monomer.

  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 = 50126144   

TargetCytochrome P450 2D6(Homo sapiens (Human))
Newlink Genetics

Curated by ChEMBL
LigandPNGBDBM50126144(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed