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SMILES: CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1

InChI Key: InChIKey=RVWFZRGYOXCUSN-UHFFFAOYSA-N

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 6 hits for monomerid = 50204449   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50204449
PNG
(CHEMBL427862 | MCL-449)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:21:20:9.25.10:12,26:25:12:20.18.19|
Show InChI InChI=1S/C23H32N2O2/c1-2-24-22(26)27-18-9-8-17-13-21-19-5-3-4-10-23(19,20(17)14-18)11-12-25(21)15-16-6-7-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)
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0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50204449
PNG
(CHEMBL427862 | MCL-449)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:21:20:9.25.10:12,26:25:12:20.18.19|
Show InChI InChI=1S/C23H32N2O2/c1-2-24-22(26)27-18-9-8-17-13-21-19-5-3-4-10-23(19,20(17)14-18)11-12-25(21)15-16-6-7-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)
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0.290n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50204449
PNG
(CHEMBL427862 | MCL-449)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:21:20:9.25.10:12,26:25:12:20.18.19|
Show InChI InChI=1S/C23H32N2O2/c1-2-24-22(26)27-18-9-8-17-13-21-19-5-3-4-10-23(19,20(17)14-18)11-12-25(21)15-16-6-7-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)
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2.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50204449
PNG
(CHEMBL427862 | MCL-449)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:21:20:9.25.10:12,26:25:12:20.18.19|
Show InChI InChI=1S/C23H32N2O2/c1-2-24-22(26)27-18-9-8-17-13-21-19-5-3-4-10-23(19,20(17)14-18)11-12-25(21)15-16-6-7-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)
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n/an/an/an/a 2.40n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as maximal stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50204449
PNG
(CHEMBL427862 | MCL-449)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:21:20:9.25.10:12,26:25:12:20.18.19|
Show InChI InChI=1S/C23H32N2O2/c1-2-24-22(26)27-18-9-8-17-13-21-19-5-3-4-10-23(19,20(17)14-18)11-12-25(21)15-16-6-7-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)
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n/an/a 10n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as DAMGO-stimulated [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50204449
PNG
(CHEMBL427862 | MCL-449)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:21:20:9.25.10:12,26:25:12:20.18.19|
Show InChI InChI=1S/C23H32N2O2/c1-2-24-22(26)27-18-9-8-17-13-21-19-5-3-4-10-23(19,20(17)14-18)11-12-25(21)15-16-6-7-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)
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Article
PubMed
n/an/an/an/a 1.20n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at huma kappa opioid receptor expressed in CHO cells assessed as U50488-stimulated of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair