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BDBM50177682 3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-phenylpropyl)piperidin-4-yl)phenol::CHEMBL383044

SMILES: C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=OUWLFPDEWNFHLB-PDVBFRJSSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50177682   
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


(Homo sapiens (Human))
BDBM50177682
PNG
(3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-pheny...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C30H37NO/c1-24-23-31(20-19-26-13-7-4-8-14-26)28(17-9-15-25-11-5-3-6-12-25)22-30(24,2)27-16-10-18-29(32)21-27/h3-8,10-14,16,18,21,24,28,32H,9,15,17,19-20,22-23H2,1-2H3/t24-,28+,30+/m0/s1
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230n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of loperamide-stimulated [35S]GTP-gamma-S binding to membranes containing mu opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50177682
PNG
(3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-pheny...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C30H37NO/c1-24-23-31(20-19-26-13-7-4-8-14-26)28(17-9-15-25-11-5-3-6-12-25)22-30(24,2)27-16-10-18-29(32)21-27/h3-8,10-14,16,18,21,24,28,32H,9,15,17,19-20,22-23H2,1-2H3/t24-,28+,30+/m0/s1
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260n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50177682
PNG
(3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-pheny...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C30H37NO/c1-24-23-31(20-19-26-13-7-4-8-14-26)28(17-9-15-25-11-5-3-6-12-25)22-30(24,2)27-16-10-18-29(32)21-27/h3-8,10-14,16,18,21,24,28,32H,9,15,17,19-20,22-23H2,1-2H3/t24-,28+,30+/m0/s1
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320n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50177682
PNG
(3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(3-pheny...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C30H37NO/c1-24-23-31(20-19-26-13-7-4-8-14-26)28(17-9-15-25-11-5-3-6-12-25)22-30(24,2)27-16-10-18-29(32)21-27/h3-8,10-14,16,18,21,24,28,32H,9,15,17,19-20,22-23H2,1-2H3/t24-,28+,30+/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of loperamide-stimulated [35S]GTPgammaS binding to membranes containing mu opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair