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BDBM50059994 7 alpha-Spirobenzocyclohexylnaltrexone::CHEMBL105081

SMILES: Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@]1(CCc2ccccc2C1)C[C@@]35O

InChI Key: InChIKey=XALNSWJGDWVXQW-DMKPSNCHSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50059994   
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
Delta-type opioid receptor


(MOUSE)
BDBM50059994
PNG
(7 alpha-Spirobenzocyclohexylnaltrexone | CHEMBL105...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@]1(CCc2ccccc2C1)C[C@@]35O
Show InChI InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22?,26-,27-,28?,29+/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00410n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NTI binding to Opioid receptor delta 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50059994
PNG
(7 alpha-Spirobenzocyclohexylnaltrexone | CHEMBL105...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@]1(CCc2ccccc2C1)C[C@@]35O
Show InChI InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22?,26-,27-,28?,29+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.720n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor (KOR)


(Mus musculus (Mouse))
BDBM50059994
PNG
(7 alpha-Spirobenzocyclohexylnaltrexone | CHEMBL105...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)[C@]1(CCc2ccccc2C1)C[C@@]35O
Show InChI InChI=1S/C29H31NO4/c31-21-8-7-19-13-22-29(33)16-27(10-9-18-3-1-2-4-20(18)14-27)25(32)26-28(29,23(19)24(21)34-26)11-12-30(22)15-17-5-6-17/h1-4,7-8,17,22,26,31,33H,5-6,9-16H2/t22?,26-,27-,28?,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
147n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1 from mouse brain membranes.


J Med Chem 40: 3064-70 (1997)


Article DOI: 10.1021/jm970283e
BindingDB Entry DOI: 10.7270/Q27D2T7R
More data for this
Ligand-Target Pair