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BDBM50543735 CHEMBL4639172

SMILES: CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCCO)c1

InChI Key: InChIKey=YOODCUVAOWQGPD-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 = 50543735   
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))
BDBM50543735
PNG
(CHEMBL4639172)
Show SMILES CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCCO)c1
Show InChI InChI=1S/C25H43NO4/c1-3-4-11-14-22-19-23(29-2)21-24(20-22)30-18-13-10-8-6-5-7-9-12-15-25(28)26-16-17-27/h19-21,27H,3-18H2,1-2H3,(H,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
PubMed
33n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50543735
PNG
(CHEMBL4639172)
Show SMILES CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCCO)c1
Show InChI InChI=1S/C25H43NO4/c1-3-4-11-14-22-19-23(29-2)21-24(20-22)30-18-13-10-8-6-5-7-9-12-15-25(28)26-16-17-27/h19-21,27H,3-18H2,1-2H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
PubMed
88n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair