BDBM50130563 (3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide::(3R)-7-hydroxy-N-(1S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl-2-methylpropyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide::(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide::(R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {(S)-1-[(3R,4R)-4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-ylmethyl]-2-methyl-propyl}-amide::7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {1-[4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-ylmethyl]-2-methyl-propyl}-amide::CHEMBL415247::atrans-(3R,4R)-dimethyl-4-(3-hydroxyphenyl) piperidine

SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1

InChI Key InChIKey=ZLVXBBHTMQJRSX-VMGNSXQWSA-N

Data  23 KI  3 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50130563   

TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Affinity DataKi:  0.0100nMAssay Description:Antagonist activity at kappa opioid receptor (unknown origin) assessed as stimulation of [35S]GTPgammaSMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Affinity DataKi:  0.0200nMAssay Description:Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrsMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Affinity DataKi:  0.0200nMAssay Description:Antagonist activity at kappa opioid receptor in guinea pig caudate assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] bindingMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Affinity DataKi:  0.0300nMAssay Description:Displacement of [3H]diprenorphine from human recombinant mu opioid receptor expressed in HEK cells after 60 minsMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Affinity DataKi:  0.0591nMAssay Description:Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Affinity DataKi:  0.320nMAssay Description:Binding affinity of compound for Opioid receptor kappa 1 was determined using [3H]U-69593 as radioligand from guinea pig caudateMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Affinity DataKi:  0.320nMAssay Description:Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in HEK cells after 60 minsMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Affinity DataKi:  0.320nMAssay Description:Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Affinity DataKi:  0.320nMAssay Description:Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brainMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
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