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BDBM50188843 8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4.5]decan-1-one::CHEMBL213683::CHEMBL540110::rac-8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4.5]decan-1-one

SMILES: CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1

InChI Key: InChIKey=XNZWDRHJBZFXLY-UHFFFAOYSA-N

Data: 3 IC50  2 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 5 hits for monomerid = 50188843   
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))
BDBM50188843
PNG
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)
Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)
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n/an/a 2.73E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50188843
PNG
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)
Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)
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n/an/a 1.87E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50188843
PNG
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)
Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)
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n/an/a 1.87E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells


Bioorg Med Chem Lett 16: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188843
PNG
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)
Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)
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n/an/an/an/a 82n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50188843
PNG
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)
Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 62n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at GlyT1


Bioorg Med Chem Lett 16: 4321-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.063
BindingDB Entry DOI: 10.7270/Q2P26ZXG
More data for this
Ligand-Target Pair