BindingDB logo
myBDB logout

BDBM50278519 2-(2-hydroxybenzylidene)-2,3,4,4a-tetrahydro-1H-xanthen-1-one::CHEMBL470820

SMILES: Oc1ccccc1\C=C1/CCC2Oc3ccccc3C=C2C1=O

InChI Key: InChIKey=MUEAZARQGKQKKJ-RVDMUPIBSA-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 = 50278519   
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


(Rattus norvegicus (rat))
BDBM50278519
PNG
(2-(2-hydroxybenzylidene)-2,3,4,4a-tetrahydro-1H-xa...)
Show SMILES Oc1ccccc1\C=C1/CCC2Oc3ccccc3C=C2C1=O |c:21|
Show InChI InChI=1S/C20H16O3/c21-17-7-3-1-5-13(17)11-15-9-10-19-16(20(15)22)12-14-6-2-4-8-18(14)23-19/h1-8,11-12,19,21H,9-10H2/b15-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.90E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278519
PNG
(2-(2-hydroxybenzylidene)-2,3,4,4a-tetrahydro-1H-xa...)
Show SMILES Oc1ccccc1\C=C1/CCC2Oc3ccccc3C=C2C1=O |c:21|
Show InChI InChI=1S/C20H16O3/c21-17-7-3-1-5-13(17)11-15-9-10-19-16(20(15)22)12-14-6-2-4-8-18(14)23-19/h1-8,11-12,19,21H,9-10H2/b15-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair