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BDBM50009269 CHEMBL3233198

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O

InChI Key: InChIKey=OPLCYKYAOILVPS-GSDHBNRESA-N

Data: 2 KI  2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50009269   
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


(Rattus norvegicus (rat))
BDBM50009269
PNG
(CHEMBL3233198)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C29H34N4O4/c1-17-13-21(34)14-18(2)23(17)16-24(30)29(37)33-12-6-11-26(33)28(36)32-25(27(31)35)15-20-9-5-8-19-7-3-4-10-22(19)20/h3-5,7-10,13-14,24-26,34H,6,11-12,15-16,30H2,1-2H3,(H2,31,35)(H,32,36)/t24-,25-,26-/m0/s1
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Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes


Bioorg Med Chem 22: 2208-19 (2014)


Article DOI: 10.1016/j.bmc.2014.02.015
BindingDB Entry DOI: 10.7270/Q29Z96DB
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009269
PNG
(CHEMBL3233198)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C29H34N4O4/c1-17-13-21(34)14-18(2)23(17)16-24(30)29(37)33-12-6-11-26(33)28(36)32-25(27(31)35)15-20-9-5-8-19-7-3-4-10-22(19)20/h3-5,7-10,13-14,24-26,34H,6,11-12,15-16,30H2,1-2H3,(H2,31,35)(H,32,36)/t24-,25-,26-/m0/s1
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Article
PubMed
121n/an/an/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes


Bioorg Med Chem 22: 2208-19 (2014)


Article DOI: 10.1016/j.bmc.2014.02.015
BindingDB Entry DOI: 10.7270/Q29Z96DB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50009269
PNG
(CHEMBL3233198)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C29H34N4O4/c1-17-13-21(34)14-18(2)23(17)16-24(30)29(37)33-12-6-11-26(33)28(36)32-25(27(31)35)15-20-9-5-8-19-7-3-4-10-22(19)20/h3-5,7-10,13-14,24-26,34H,6,11-12,15-16,30H2,1-2H3,(H2,31,35)(H,32,36)/t24-,25-,26-/m0/s1
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Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem 22: 2208-19 (2014)


Article DOI: 10.1016/j.bmc.2014.02.015
BindingDB Entry DOI: 10.7270/Q29Z96DB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009269
PNG
(CHEMBL3233198)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C29H34N4O4/c1-17-13-21(34)14-18(2)23(17)16-24(30)29(37)33-12-6-11-26(33)28(36)32-25(27(31)35)15-20-9-5-8-19-7-3-4-10-22(19)20/h3-5,7-10,13-14,24-26,34H,6,11-12,15-16,30H2,1-2H3,(H2,31,35)(H,32,36)/t24-,25-,26-/m0/s1
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem 22: 2208-19 (2014)


Article DOI: 10.1016/j.bmc.2014.02.015
BindingDB Entry DOI: 10.7270/Q29Z96DB
More data for this
Ligand-Target Pair