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BDBM50358958 CHEMBL1923772

SMILES: CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCOC(CO)CO)c1

InChI Key: InChIKey=JCJPUCGVJHINQD-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 = 50358958   
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))
BDBM50358958
PNG
(CHEMBL1923772)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCOC(CO)CO)c1
Show InChI InChI=1S/C26H46O5/c1-4-5-6-11-14-26(2,3)22-17-23(29)19-24(18-22)30-15-12-9-7-8-10-13-16-31-25(20-27)21-28/h17-19,25,27-29H,4-16,20-21H2,1-3H3
PDB

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KEGG

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in human HEK293 cells


J Med Chem 54: 8278-88 (2011)


Article DOI: 10.1021/jm200529h
BindingDB Entry DOI: 10.7270/Q23J3DC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50358958
PNG
(CHEMBL1923772)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCOC(CO)CO)c1
Show InChI InChI=1S/C26H46O5/c1-4-5-6-11-14-26(2,3)22-17-23(29)19-24(18-22)30-15-12-9-7-8-10-13-16-31-25(20-27)21-28/h17-19,25,27-29H,4-16,20-21H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in human HEK293 cells


J Med Chem 54: 8278-88 (2011)


Article DOI: 10.1021/jm200529h
BindingDB Entry DOI: 10.7270/Q23J3DC3
More data for this
Ligand-Target Pair