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BDBM50138011 3-Hydroxy-10-keto-N-(2-phenylethyl)morphinan::CHEMBL48390

SMILES: Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCc3ccccc3)c2c1

InChI Key: InChIKey=UWKQEYUXARXPSA-ODGPQVTHSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50138011   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50138011
PNG
(3-Hydroxy-10-keto-N-(2-phenylethyl)morphinan | CHE...)
Show SMILES Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCc3ccccc3)c2c1
Show InChI InChI=1S/C24H27NO2/c26-18-9-10-19-21(16-18)24-12-5-4-8-20(24)22(23(19)27)25(15-13-24)14-11-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,20,22,26H,4-5,8,11-15H2/t20-,22-,24+/m0/s1
UniProtKB/SwissProt

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Article
PubMed
0.630n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50138011
PNG
(3-Hydroxy-10-keto-N-(2-phenylethyl)morphinan | CHE...)
Show SMILES Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCc3ccccc3)c2c1
Show InChI InChI=1S/C24H27NO2/c26-18-9-10-19-21(16-18)24-12-5-4-8-20(24)22(23(19)27)25(15-13-24)14-11-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,20,22,26H,4-5,8,11-15H2/t20-,22-,24+/m0/s1
PDB

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PC sid
UniChem

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Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50138011
PNG
(3-Hydroxy-10-keto-N-(2-phenylethyl)morphinan | CHE...)
Show SMILES Oc1ccc2C(=O)[C@@H]3[C@@H]4CCCC[C@]4(CCN3CCc3ccccc3)c2c1
Show InChI InChI=1S/C24H27NO2/c26-18-9-10-19-21(16-18)24-12-5-4-8-20(24)22(23(19)27)25(15-13-24)14-11-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,20,22,26H,4-5,8,11-15H2/t20-,22-,24+/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta 1 using [3H]-naltrindole as radioligand in guinea pig brain membranes.


J Med Chem 47: 165-74 (2003)


Article DOI: 10.1021/jm0304156
BindingDB Entry DOI: 10.7270/Q2KD1XB2
More data for this
Ligand-Target Pair