BindingDB logo
myBDB logout

BDBM50278474 3-Benzyl-8-bromo-5-methoxychromen-2-one::CHEMBL470019

SMILES: COc1ccc(Br)c2oc(=O)c(Cc3ccccc3)cc12

InChI Key: InChIKey=OPRKTEJKHGVKBY-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50278474   
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))
BDBM50278474
PNG
(3-Benzyl-8-bromo-5-methoxychromen-2-one | CHEMBL47...)
Show SMILES COc1ccc(Br)c2oc(=O)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C17H13BrO3/c1-20-15-8-7-14(18)16-13(15)10-12(17(19)21-16)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278474
PNG
(3-Benzyl-8-bromo-5-methoxychromen-2-one | CHEMBL47...)
Show SMILES COc1ccc(Br)c2oc(=O)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C17H13BrO3/c1-20-15-8-7-14(18)16-13(15)10-12(17(19)21-16)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50278474
PNG
(3-Benzyl-8-bromo-5-methoxychromen-2-one | CHEMBL47...)
Show SMILES COc1ccc(Br)c2oc(=O)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C17H13BrO3/c1-20-15-8-7-14(18)16-13(15)10-12(17(19)21-16)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior t...


J Med Chem 56: 4798-810 (2013)


Article DOI: 10.1021/jm4005175
BindingDB Entry DOI: 10.7270/Q2GM88QX
More data for this
Ligand-Target Pair