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BDBM50058500 CHEMBL3331452

SMILES: CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(Cc2ccc(C)cc2)c-2c1Cc1sc(C)cc-21

InChI Key: InChIKey=UPMJNKOBOQBQSF-YYFONXBLNA-N

Data: 2 KI

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 = 50058500   
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


(MOUSE)
BDBM50058500
PNG
(CHEMBL3331452)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(Cc2ccc(C)cc2)c-2c1Cc1sc(C)cc-21 |r|
Show InChI InChI=1/C28H35N3OS/c1-16(2)21-11-8-18(4)12-24(21)29-28(32)26-23-14-25-22(13-19(5)33-25)27(23)31(30-26)15-20-9-6-17(3)7-10-20/h6-7,9-10,13,16,18,21,24H,8,11-12,14-15H2,1-5H3,(H,29,32)/t18-,21+,24?/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058500
PNG
(CHEMBL3331452)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(Cc2ccc(C)cc2)c-2c1Cc1sc(C)cc-21 |r|
Show InChI InChI=1/C28H35N3OS/c1-16(2)21-11-8-18(4)12-24(21)29-28(32)26-23-14-25-22(13-19(5)33-25)27(23)31(30-26)15-20-9-6-17(3)7-10-20/h6-7,9-10,13,16,18,21,24H,8,11-12,14-15H2,1-5H3,(H,29,32)/t18-,21+,24?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair