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BDBM50055440 CHEMBL3323697

SMILES: CCCCCCc1ccc(OCCCCCCCCCCCNC(=O)C2CC2)cc1O

InChI Key: InChIKey=IOYKFVKOSDMIBT-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 = 50055440   
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 1


(Homo sapiens (Human))
BDBM50055440
PNG
(CHEMBL3323697)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCCNC(=O)C2CC2)cc1O
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-12-15-23-18-19-25(22-26(23)29)31-21-14-11-9-7-5-6-8-10-13-20-28-27(30)24-16-17-24/h18-19,22,24,29H,2-17,20-21H2,1H3,(H,28,30)
PDB

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KEGG

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PC sid
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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50055440
PNG
(CHEMBL3323697)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCCNC(=O)C2CC2)cc1O
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-12-15-23-18-19-25(22-26(23)29)31-21-14-11-9-7-5-6-8-10-13-20-28-27(30)24-16-17-24/h18-19,22,24,29H,2-17,20-21H2,1H3,(H,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair