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BDBM50380888 CHEMBL2019092

SMILES: COCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O

InChI Key: InChIKey=YJKQHGPKXWKUOY-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 = 50380888   
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))
BDBM50380888
PNG
(CHEMBL2019092)
Show SMILES COCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C22H32N2O5/c1-29-14-13-24-18-10-6-3-2-5-9-16(18)15-17(20(24)26)19(25)23-22(21(27)28)11-7-4-8-12-22/h15H,2-14H2,1H3,(H,23,25)(H,27,28)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
294n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380888
PNG
(CHEMBL2019092)
Show SMILES COCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C22H32N2O5/c1-29-14-13-24-18-10-6-3-2-5-9-16(18)15-17(20(24)26)19(25)23-22(21(27)28)11-7-4-8-12-22/h15H,2-14H2,1H3,(H,23,25)(H,27,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair