BDBM50318680 7-HYDROXY-2-OXO-2-ISOTHIOCHROMAN-3(+)-CARBOXYLIC ACID-{1-[4-(3-HYDROXYPHENYL)-(3R,4R)-TRANS-DIMETHYL-PIPERIDINYLMETHYL]-(2S)-METHYLPROPYL}AMIDE (DIASTEREOMERIC MIX)::7-Hydroxy-2-oxo-2-isothiochroman-3(+)-carboxylic acid-{1-[4-(3-hydroxyphenyl)-(3R,4R)-trans-dimethyl-piperidinylmethyl]-(2S)-methylpropyl}amide::CHEMBL1083372

SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CS1=O

InChI Key InChIKey=UDCUABBHLILTLQ-UHFFFAOYSA-N

Data  5 EC50

  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 5 hits for monomerid = 50318680   

TargetKappa-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50318680(CHEMBL1083372 | 7-Hydroxy-2-oxo-2-isothiochroman-3...)
Affinity DataEC50:  6nMAssay Description:Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50318680(CHEMBL1083372 | 7-Hydroxy-2-oxo-2-isothiochroman-3...)
Affinity DataEC50:  6nMAssay Description:Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50318680(CHEMBL1083372 | 7-Hydroxy-2-oxo-2-isothiochroman-3...)
Affinity DataEC50:  120nMAssay Description:Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50318680(CHEMBL1083372 | 7-Hydroxy-2-oxo-2-isothiochroman-3...)
Affinity DataEC50:  120nMAssay Description:Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50318680(CHEMBL1083372 | 7-Hydroxy-2-oxo-2-isothiochroman-3...)
Affinity DataEC50:  380nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed