BDBM494137 US10988481, Compound 13

SMILES O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C2CC2)C1O5)c1ccc2[nH]ccc2c1

InChI Key InChIKey=XFXCGLZWBCOYGC-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 494137   

TargetMu-type opioid receptor(Human)
Virginia Commonwealth University

US Patent
LigandChemical structure of BindingDB Monomer ID 494137BDBM494137(US10988481, Compound 13)
Affinity DataKi:  0.259nMAssay Description:The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
US Patent

TargetKappa-type opioid receptor(Human)
Virginia Commonwealth University

US Patent
LigandChemical structure of BindingDB Monomer ID 494137BDBM494137(US10988481, Compound 13)
Affinity DataKi:  0.512nMAssay Description:The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
US Patent

TargetDelta-type opioid receptor(Human)
Virginia Commonwealth University

US Patent
LigandChemical structure of BindingDB Monomer ID 494137BDBM494137(US10988481, Compound 13)
Affinity DataKi:  17.7nMAssay Description:The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
US Patent