BDBM50036245 4-cyclopropylmethyl-14-(2-isothiocyanatomethylbenzyloxy)-(1S,13R,14R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-triene-10,17-diol(o-CH2NCS)::CHEMBL152327

SMILES Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccccc4CN=C=S)CC[C@@]4(O)C(C2)N(CC2CC2)CCC314

InChI Key InChIKey=IDVCTKLFKIONIA-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50036245   

TargetMu-type opioid receptor(Guinea pig)
University of Washington

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50036245BDBM50036245(4-cyclopropylmethyl-14-(2-isothiocyanatomethylbenz...)
Affinity DataIC50: 20nMAssay Description:Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Washington

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50036245BDBM50036245(4-cyclopropylmethyl-14-(2-isothiocyanatomethylbenz...)
Affinity DataIC50: 22nMAssay Description:Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
University of Washington

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50036245BDBM50036245(4-cyclopropylmethyl-14-(2-isothiocyanatomethylbenz...)
Affinity DataIC50: 43nMAssay Description:Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2012
Entry Details Article
PubMed