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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor' and Ligand = 'BDBM50229034'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50229034
PNG
(CHEMBL112438)
Show SMILES CCCCCc1cc(OCCN2CCOCC2)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H41NO3/c1-5-6-7-8-21-18-24(30-16-13-28-11-14-29-15-12-28)26-22-17-20(2)9-10-23(22)27(3,4)31-25(26)19-21/h9,18-19,22-23H,5-8,10-17H2,1-4H3/t22-,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding activity against THC cannabinoid receptor site, using 3H-CP-55940 as the radioligand.


J Med Chem 34: 3310-6 (1991)


Article DOI: 10.1021/jm00115a023
BindingDB Entry DOI: 10.7270/Q2154K8S
More data for this
Ligand-Target Pair