BindingDB logo
myBDB logout

BDBM50116985 CHEMBL3613110

SMILES: Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCC2)cc1

InChI Key: InChIKey=VMAGXTDYDZLRPW-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 = 50116985   
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))
BDBM50116985
PNG
(CHEMBL3613110)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCC2)cc1
Show InChI InChI=1S/C24H26ClN3O/c1-17-5-7-19(8-6-17)15-27-16-21(24(29)26-28-11-3-4-12-28)14-23(27)20-9-10-22(25)18(2)13-20/h5-10,13-14,16H,3-4,11-12,15H2,1-2H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)


BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116985
PNG
(CHEMBL3613110)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCC2)cc1
Show InChI InChI=1S/C24H26ClN3O/c1-17-5-7-19(8-6-17)15-27-16-21(24(29)26-28-11-3-4-12-28)14-23(27)20-9-10-22(25)18(2)13-20/h5-10,13-14,16H,3-4,11-12,15H2,1-2H3,(H,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)


BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair