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BDBM50154624 CHEMBL3775264

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)n2ncnc12

InChI Key: InChIKey=LSVGIQPOZIMKHQ-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50154624   
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))
BDBM50154624
PNG
(CHEMBL3775264)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)n2ncnc12 |TLB:22:11:20:14.17.15,16:15:20:21.11.12,THB:21:18:14:11.12.22,21:11:14:20.18.17,22:15:20:21.11.12,10:11:20:14.17.15,10:11:14:20.18.17|
Show InChI InChI=1S/C23H33N5O2/c1-4-5-6-7-27-11-17(19(30)28-20(27)24-15-25-28)18(29)26-23-10-16-8-21(2,13-23)12-22(3,9-16)14-23/h11,15-16H,4-10,12-14H2,1-3H3,(H,26,29)
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PC sid
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25n/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))
BDBM50154624
PNG
(CHEMBL3775264)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)n2ncnc12 |TLB:22:11:20:14.17.15,16:15:20:21.11.12,THB:21:18:14:11.12.22,21:11:14:20.18.17,22:15:20:21.11.12,10:11:20:14.17.15,10:11:14:20.18.17|
Show InChI InChI=1S/C23H33N5O2/c1-4-5-6-7-27-11-17(19(30)28-20(27)24-15-25-28)18(29)26-23-10-16-8-21(2,13-23)12-22(3,9-16)14-23/h11,15-16H,4-10,12-14H2,1-3H3,(H,26,29)
PDB

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PC sid
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622n/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))
BDBM50154624
PNG
(CHEMBL3775264)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)n2ncnc12 |TLB:22:11:20:14.17.15,16:15:20:21.11.12,THB:21:18:14:11.12.22,21:11:14:20.18.17,22:15:20:21.11.12,10:11:20:14.17.15,10:11:14:20.18.17|
Show InChI InChI=1S/C23H33N5O2/c1-4-5-6-7-27-11-17(19(30)28-20(27)24-15-25-28)18(29)26-23-10-16-8-21(2,13-23)12-22(3,9-16)14-23/h11,15-16H,4-10,12-14H2,1-3H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 88n/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