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BDBM50290866 (4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[3,2-g]isoquinoline-2-carboxylic acid ethyl ester::CHEMBL322181

SMILES: CCOC(=O)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1

InChI Key: InChIKey=VLKCMRCQVZUHJH-GAJHUEQPSA-N

Data: 3 KI

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

Found 3 hits for monomerid = 50290866   
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)
BDBM50290866
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCOC(=O)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C23H30N2O3/c1-4-25-10-9-23(16-7-6-8-18(26)11-16)13-19-15(3)21(22(27)28-5-2)24-20(19)12-17(23)14-25/h6-8,11,17,24,26H,4-5,9-10,12-14H2,1-3H3/t17-,23+/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
BindingDB Entry DOI: 10.7270/Q26110VD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50290866
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCOC(=O)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C23H30N2O3/c1-4-25-10-9-23(16-7-6-8-18(26)11-16)13-19-15(3)21(22(27)28-5-2)24-20(19)12-17(23)14-25/h6-8,11,17,24,26H,4-5,9-10,12-14H2,1-3H3/t17-,23+/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
141n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
BindingDB Entry DOI: 10.7270/Q26110VD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50290866
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCOC(=O)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C23H30N2O3/c1-4-25-10-9-23(16-7-6-8-18(26)11-16)13-19-15(3)21(22(27)28-5-2)24-20(19)12-17(23)14-25/h6-8,11,17,24,26H,4-5,9-10,12-14H2,1-3H3/t17-,23+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
169n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
BindingDB Entry DOI: 10.7270/Q26110VD
More data for this
Ligand-Target Pair