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BDBM50377004 CHEMBL258172

SMILES: COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC

InChI Key: InChIKey=ZXZVOBBRKVGPQV-HXUWFJFHSA-N

Data: 3 KI  1 EC50

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 = 50377004   
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50377004
PNG
(CHEMBL258172)
Show SMILES COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H30N2O3/c1-24(23(26)16-18-11-12-21(27-2)22(15-18)28-3)20(17-25-13-7-8-14-25)19-9-5-4-6-10-19/h4-6,9-12,15,20H,7-8,13-14,16-17H2,1-3H3/t20-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 3667-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.116
BindingDB Entry DOI: 10.7270/Q2TX3G7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50377004
PNG
(CHEMBL258172)
Show SMILES COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H30N2O3/c1-24(23(26)16-18-11-12-21(27-2)22(15-18)28-3)20(17-25-13-7-8-14-25)19-9-5-4-6-10-19/h4-6,9-12,15,20H,7-8,13-14,16-17H2,1-3H3/t20-/m1/s1
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500n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 3667-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.116
BindingDB Entry DOI: 10.7270/Q2TX3G7F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50377004
PNG
(CHEMBL258172)
Show SMILES COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H30N2O3/c1-24(23(26)16-18-11-12-21(27-2)22(15-18)28-3)20(17-25-13-7-8-14-25)19-9-5-4-6-10-19/h4-6,9-12,15,20H,7-8,13-14,16-17H2,1-3H3/t20-/m1/s1
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 3667-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.116
BindingDB Entry DOI: 10.7270/Q2TX3G7F
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50377004
PNG
(CHEMBL258172)
Show SMILES COc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H30N2O3/c1-24(23(26)16-18-11-12-21(27-2)22(15-18)28-3)20(17-25-13-7-8-14-25)19-9-5-4-6-10-19/h4-6,9-12,15,20H,7-8,13-14,16-17H2,1-3H3/t20-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor transfected in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3667-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.116
BindingDB Entry DOI: 10.7270/Q2TX3G7F
More data for this
Ligand-Target Pair