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BDBM50311479 2-(8-(decahydronaphthalen-2-yl)-1-oxo-4-phenyl-2,3,8-triazaspiro[4.5]dec-3-en-2-yl)-N-methylacetamide::CHEMBL1079942

SMILES: CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC3CCCCC3C2)C1=O

InChI Key: InChIKey=AMSDLHMBLLSAKF-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50311479   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311479
PNG
(2-(8-(decahydronaphthalen-2-yl)-1-oxo-4-phenyl-2,3...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC3CCCCC3C2)C1=O |t:6|
Show InChI InChI=1S/C26H36N4O2/c1-27-23(31)18-30-25(32)26(24(28-30)20-8-3-2-4-9-20)13-15-29(16-14-26)22-12-11-19-7-5-6-10-21(19)17-22/h2-4,8-9,19,21-22H,5-7,10-18H2,1H3,(H,27,31)
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PC cid
PC sid
UniChem
Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311479
PNG
(2-(8-(decahydronaphthalen-2-yl)-1-oxo-4-phenyl-2,3...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC3CCCCC3C2)C1=O |t:6|
Show InChI InChI=1S/C26H36N4O2/c1-27-23(31)18-30-25(32)26(24(28-30)20-8-3-2-4-9-20)13-15-29(16-14-26)22-12-11-19-7-5-6-10-21(19)17-22/h2-4,8-9,19,21-22H,5-7,10-18H2,1H3,(H,27,31)
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7.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311479
PNG
(2-(8-(decahydronaphthalen-2-yl)-1-oxo-4-phenyl-2,3...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC3CCCCC3C2)C1=O |t:6|
Show InChI InChI=1S/C26H36N4O2/c1-27-23(31)18-30-25(32)26(24(28-30)20-8-3-2-4-9-20)13-15-29(16-14-26)22-12-11-19-7-5-6-10-21(19)17-22/h2-4,8-9,19,21-22H,5-7,10-18H2,1H3,(H,27,31)
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n/an/a 18n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair