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BDBM50491843 CHEMBL2387074

SMILES: CCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O

InChI Key: InChIKey=ZKAMYFKSRGZWDY-UHFFFAOYSA-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 = 50491843   
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))
BDBM50491843
PNG
(CHEMBL2387074)
Show SMILES CCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C20H26N2O2/c1-4-6-12-22-18(5-2)15(3)13-17(20(22)24)19(23)21-14-16-10-8-7-9-11-16/h7-11,13H,4-6,12,14H2,1-3H3,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
20n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)


BindingDB Entry DOI: 10.7270/Q22R3VKX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50491843
PNG
(CHEMBL2387074)
Show SMILES CCCCn1c(CC)c(C)cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C20H26N2O2/c1-4-6-12-22-18(5-2)15(3)13-17(20(22)24)19(23)21-14-16-10-8-7-9-11-16/h7-11,13H,4-6,12,14H2,1-3H3,(H,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
322n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 21: 3154-63 (2013)


BindingDB Entry DOI: 10.7270/Q22R3VKX
More data for this
Ligand-Target Pair