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BDBM50154565 CHEMBL3775265

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)N1CCOCC1

InChI Key: InChIKey=LICOFLCBNMBWFT-UHFFFAOYSA-N

Data: 2 KI  1 IC50  1 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 4 hits for monomerid = 50154565   
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 2


(Homo sapiens (Human))
BDBM50154565
PNG
(CHEMBL3775265)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)N1CCOCC1 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19|
Show InChI InChI=1S/C25H36N6O3/c1-2-3-4-5-30-16-20(21(32)27-25-13-17-10-18(14-25)12-19(11-17)15-25)22(33)31-24(30)26-23(28-31)29-6-8-34-9-7-29/h16-19H,2-15H2,1H3,(H,27,32)
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53n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


Eur J Med Chem 113: 11-27 (2016)


BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50154565
PNG
(CHEMBL3775265)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)N1CCOCC1 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19|
Show InChI InChI=1S/C25H36N6O3/c1-2-3-4-5-30-16-20(21(32)27-25-13-17-10-18(14-25)12-19(11-17)15-25)22(33)31-24(30)26-23(28-31)29-6-8-34-9-7-29/h16-19H,2-15H2,1H3,(H,27,32)
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis


Eur J Med Chem 113: 11-27 (2016)


BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50154565
PNG
(CHEMBL3775265)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)N1CCOCC1 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19|
Show InChI InChI=1S/C25H36N6O3/c1-2-3-4-5-30-16-20(21(32)27-25-13-17-10-18(14-25)12-19(11-17)15-25)22(33)31-24(30)26-23(28-31)29-6-8-34-9-7-29/h16-19H,2-15H2,1H3,(H,27,32)
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n/an/a 162n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of WIN 55,212-2 mediated suppression of forksolin induced c...


Eur J Med Chem 113: 11-27 (2016)


BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50154565
PNG
(CHEMBL3775265)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(nc12)N1CCOCC1 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19|
Show InChI InChI=1S/C25H36N6O3/c1-2-3-4-5-30-16-20(21(32)27-25-13-17-10-18(14-25)12-19(11-17)15-25)22(33)31-24(30)26-23(28-31)29-6-8-34-9-7-29/h16-19H,2-15H2,1H3,(H,27,32)
PDB

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PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 670n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor transfected in CHO cells assessed as increase in forksolin stimulated cAMP production by scintillation...


Eur J Med Chem 113: 11-27 (2016)


BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair