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BDBM50037481 (-)-cis-Normetazocine::(6R,11S)-6,11-Dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::CHEMBL326370

SMILES: C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2

InChI Key: InChIKey=DXESFJJJWBHLJX-STGJRIPSSA-N

Data: 5 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50037481   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50037481
PNG
((-)-cis-Normetazocine | (6R,11S)-6,11-Dimethyl-1,2...)
Show SMILES C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
Show InChI InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9-,13?,14-/m1/s1
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470n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against mu receptor using [3H]DAMGO in homogenate of rat brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50037481
PNG
((-)-cis-Normetazocine | (6R,11S)-6,11-Dimethyl-1,2...)
Show SMILES C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
Show InChI InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9-,13?,14-/m1/s1
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1.72E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against mu receptor from displacement studies using 0.5 nM [3H]-DAMGO in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50037481
PNG
((-)-cis-Normetazocine | (6R,11S)-6,11-Dimethyl-1,2...)
Show SMILES C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
Show InChI InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9-,13?,14-/m1/s1
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2.73E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50037481
PNG
((-)-cis-Normetazocine | (6R,11S)-6,11-Dimethyl-1,2...)
Show SMILES C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
Show InChI InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9-,13?,14-/m1/s1
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3.78E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against kappa receptor from displacement studies using 1.5 nM [3H]U-69593 in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50037481
PNG
((-)-cis-Normetazocine | (6R,11S)-6,11-Dimethyl-1,2...)
Show SMILES C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
Show InChI InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9-,13?,14-/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against delta receptor from displacement studies using 1.5 nM [3H]DPDPE in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Mas-related G protein-coupled receptor X2 (MRGPRX2)


(Homo sapiens (Human))
BDBM50037481
PNG
((-)-cis-Normetazocine | (6R,11S)-6,11-Dimethyl-1,2...)
Show SMILES C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2 |TLB:9:10:1:15.13.14|
Show InChI InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9-,13?,14-/m1/s1
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Article
PubMed
n/an/an/an/a 5.00E+4n/an/a7.430



University of North Carolina



Assay Description
HTLA cells (HEK-T cells stably expressing a β-arrestin2-TEV fusion protein and a tTa-dependent luciferase reporter) were maintained in DMEM (Cor...


Nat Chem Biol 13: 529-536 (2017)


Article DOI: 10.1038/nchembio.2334
BindingDB Entry DOI: 10.7270/Q20R9N82
More data for this
Ligand-Target Pair