BindingDB logo
myBDB logout

BDBM50111546 CHEMBL3605053

SMILES: COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=DYFVKJLTKQGMJQ-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 = 50111546   
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))
BDBM50111546
PNG
(CHEMBL3605053)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3O3/c1-26-18-9-14(21(25)12-3-5-15(22)6-4-12)10-19(27-2)20(18)13-7-16(23)11-17(24)8-13/h3-11H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analys...


Bioorg Med Chem 23: 5390-401 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50111546
PNG
(CHEMBL3605053)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3O3/c1-26-18-9-14(21(25)12-3-5-15(22)6-4-12)10-19(27-2)20(18)13-7-16(23)11-17(24)8-13/h3-11H,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analys...


Bioorg Med Chem 23: 5390-401 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair