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BDBM50142703 CHEMBL3759541

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N(c1ccccc1)c1ccccc1

InChI Key: InChIKey=AAUPKJITIZNIAU-ZBSZVIOYNA-N

Data: 2 KI  1 IC50  1 EC50

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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 = 50142703   
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


(Homo sapiens (Human))
BDBM50142703
PNG
(CHEMBL3759541)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1/C35H36N4O4/c1-23-17-29(40)18-24(2)30(23)20-31(36)35(43)38-22-26-12-10-9-11-25(26)19-32(38)34(42)37-21-33(41)39(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-18,31-32,40H,19-22,36H2,1-2H3,(H,37,42)/t31-,32+/s2
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PC cid
PC sid
UniChem
PubMed
0.940n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50142703
PNG
(CHEMBL3759541)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1/C35H36N4O4/c1-23-17-29(40)18-24(2)30(23)20-31(36)35(43)38-22-26-12-10-9-11-25(26)19-32(38)34(42)37-21-33(41)39(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-18,31-32,40H,19-22,36H2,1-2H3,(H,37,42)/t31-,32+/s2
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1.70n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50142703
PNG
(CHEMBL3759541)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1/C35H36N4O4/c1-23-17-29(40)18-24(2)30(23)20-31(36)35(43)38-22-26-12-10-9-11-25(26)19-32(38)34(42)37-21-33(41)39(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-18,31-32,40H,19-22,36H2,1-2H3,(H,37,42)/t31-,32+/s2
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n/an/an/an/a 4.80n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gammaS binding assay


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50142703
PNG
(CHEMBL3759541)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1/C35H36N4O4/c1-23-17-29(40)18-24(2)30(23)20-31(36)35(43)38-22-26-12-10-9-11-25(26)19-32(38)34(42)37-21-33(41)39(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-18,31-32,40H,19-22,36H2,1-2H3,(H,37,42)/t31-,32+/s2
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n/an/a 8.30n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]-GTP-gammaS binding


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair