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BDBM50491845 CHEMBL2387076

SMILES: CCCCn1c2CCCCc2cc(C(=O)NCc2ccccc2)c1=O

InChI Key: InChIKey=GJQLRIWIWJAJOG-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50491845   
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))
BDBM50491845
PNG
(CHEMBL2387076)
Show SMILES CCCCn1c2CCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H26N2O2/c1-2-3-13-23-19-12-8-7-11-17(19)14-18(21(23)25)20(24)22-15-16-9-5-4-6-10-16/h4-6,9-10,14H,2-3,7-8,11-13,15H2,1H3,(H,22,24)
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PC cid
PC sid
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17n/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))
BDBM50491845
PNG
(CHEMBL2387076)
Show SMILES CCCCn1c2CCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H26N2O2/c1-2-3-13-23-19-12-8-7-11-17(19)14-18(21(23)25)20(24)22-15-16-9-5-4-6-10-16/h4-6,9-10,14H,2-3,7-8,11-13,15H2,1H3,(H,22,24)
PDB

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746n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491845
PNG
(CHEMBL2387076)
Show SMILES CCCCn1c2CCCCc2cc(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H26N2O2/c1-2-3-13-23-19-12-8-7-11-17(19)14-18(21(23)25)20(24)22-15-16-9-5-4-6-10-16/h4-6,9-10,14H,2-3,7-8,11-13,15H2,1H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 17n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production


Bioorg Med Chem 21: 3154-63 (2013)


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