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BDBM50311473 2-(8-(4-isopropylcyclohexyl)-1-oxo-4-phenyl-2,3,8-triazaspiro[4.5]dec-3-en-2-yl)-N-methylacetamide::CHEMBL1081191

SMILES: CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)C)C1=O

InChI Key: InChIKey=RPOIPEFQICFLBC-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 = 50311473   
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))
BDBM50311473
PNG
(2-(8-(4-isopropylcyclohexyl)-1-oxo-4-phenyl-2,3,8-...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)C)C1=O |t:6,(32.48,6.39,;30.94,6.4,;30.17,5.06,;30.93,3.73,;28.63,5.07,;27.85,3.74,;28.33,2.27,;27.09,1.36,;27.1,-.17,;25.77,-.94,;25.77,-2.49,;27.1,-3.26,;28.44,-2.48,;28.43,-.93,;25.84,2.27,;25.06,3.61,;23.52,3.6,;22.75,2.26,;23.52,.93,;25.07,.93,;21.21,2.27,;20.44,3.61,;18.91,3.61,;18.13,2.28,;18.9,.94,;20.44,.94,;16.59,2.28,;15.82,3.62,;15.82,.95,;26.31,3.73,;25.4,4.98,)|
Show InChI InChI=1S/C25H36N4O2/c1-18(2)19-9-11-21(12-10-19)28-15-13-25(14-16-28)23(20-7-5-4-6-8-20)27-29(24(25)31)17-22(30)26-3/h4-8,18-19,21H,9-17H2,1-3H3,(H,26,30)
PDB

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5.20n/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))
BDBM50311473
PNG
(2-(8-(4-isopropylcyclohexyl)-1-oxo-4-phenyl-2,3,8-...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)C)C1=O |t:6,(32.48,6.39,;30.94,6.4,;30.17,5.06,;30.93,3.73,;28.63,5.07,;27.85,3.74,;28.33,2.27,;27.09,1.36,;27.1,-.17,;25.77,-.94,;25.77,-2.49,;27.1,-3.26,;28.44,-2.48,;28.43,-.93,;25.84,2.27,;25.06,3.61,;23.52,3.6,;22.75,2.26,;23.52,.93,;25.07,.93,;21.21,2.27,;20.44,3.61,;18.91,3.61,;18.13,2.28,;18.9,.94,;20.44,.94,;16.59,2.28,;15.82,3.62,;15.82,.95,;26.31,3.73,;25.4,4.98,)|
Show InChI InChI=1S/C25H36N4O2/c1-18(2)19-9-11-21(12-10-19)28-15-13-25(14-16-28)23(20-7-5-4-6-8-20)27-29(24(25)31)17-22(30)26-3/h4-8,18-19,21H,9-17H2,1-3H3,(H,26,30)
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11n/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))
BDBM50311473
PNG
(2-(8-(4-isopropylcyclohexyl)-1-oxo-4-phenyl-2,3,8-...)
Show SMILES CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)C)C1=O |t:6,(32.48,6.39,;30.94,6.4,;30.17,5.06,;30.93,3.73,;28.63,5.07,;27.85,3.74,;28.33,2.27,;27.09,1.36,;27.1,-.17,;25.77,-.94,;25.77,-2.49,;27.1,-3.26,;28.44,-2.48,;28.43,-.93,;25.84,2.27,;25.06,3.61,;23.52,3.6,;22.75,2.26,;23.52,.93,;25.07,.93,;21.21,2.27,;20.44,3.61,;18.91,3.61,;18.13,2.28,;18.9,.94,;20.44,.94,;16.59,2.28,;15.82,3.62,;15.82,.95,;26.31,3.73,;25.4,4.98,)|
Show InChI InChI=1S/C25H36N4O2/c1-18(2)19-9-11-21(12-10-19)28-15-13-25(14-16-28)23(20-7-5-4-6-8-20)27-29(24(25)31)17-22(30)26-3/h4-8,18-19,21H,9-17H2,1-3H3,(H,26,30)
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n/an/a 53n/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