BindingDB logo
myBDB logout

null

SMILES: CC1CCC(CC1)NC(=O)C1CN(CCN2CCOCC2)c2nc(C)ccc2C1O

InChI Key: InChIKey=AKIHZSZXRINSHC-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 2 hits for monomerid = 50195509   
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


(Mus musculus (Mouse))
BDBM50195509
PNG
(4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-...)
Show SMILES CC1CCC(CC1)NC(=O)C1CN(CCN2CCOCC2)c2nc(C)ccc2C1O |(31.74,-6.21,;30.4,-6.98,;30.4,-8.52,;29.06,-9.29,;27.73,-8.52,;27.73,-6.98,;29.06,-6.21,;26.4,-9.29,;25.06,-8.52,;25.06,-6.98,;23.73,-9.29,;23.73,-10.83,;22.4,-11.61,;22.4,-13.15,;23.73,-13.91,;23.73,-15.46,;25.06,-16.23,;25.06,-17.77,;23.73,-18.54,;22.4,-17.77,;22.4,-16.23,;21.06,-10.83,;19.73,-11.61,;18.4,-10.83,;17.06,-11.61,;18.4,-9.29,;19.73,-8.52,;21.06,-9.29,;22.4,-8.52,;22.4,-6.98,)|
Show InChI InChI=1S/C23H36N4O3/c1-16-3-6-18(7-4-16)25-23(29)20-15-27(10-9-26-11-13-30-14-12-26)22-19(21(20)28)8-5-17(2)24-22/h5,8,16,18,20-21,28H,3-4,6-7,9-15H2,1-2H3,(H,25,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in DBA/J2 mouse brain


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195509
PNG
(4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-...)
Show SMILES CC1CCC(CC1)NC(=O)C1CN(CCN2CCOCC2)c2nc(C)ccc2C1O |(31.74,-6.21,;30.4,-6.98,;30.4,-8.52,;29.06,-9.29,;27.73,-8.52,;27.73,-6.98,;29.06,-6.21,;26.4,-9.29,;25.06,-8.52,;25.06,-6.98,;23.73,-9.29,;23.73,-10.83,;22.4,-11.61,;22.4,-13.15,;23.73,-13.91,;23.73,-15.46,;25.06,-16.23,;25.06,-17.77,;23.73,-18.54,;22.4,-17.77,;22.4,-16.23,;21.06,-10.83,;19.73,-11.61,;18.4,-10.83,;17.06,-11.61,;18.4,-9.29,;19.73,-8.52,;21.06,-9.29,;22.4,-8.52,;22.4,-6.98,)|
Show InChI InChI=1S/C23H36N4O3/c1-16-3-6-18(7-4-16)25-23(29)20-15-27(10-9-26-11-13-30-14-12-26)22-19(21(20)28)8-5-17(2)24-22/h5,8,16,18,20-21,28H,3-4,6-7,9-15H2,1-2H3,(H,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair