new BindingDB logo
myBDB logout

BDBM50058436 CHEMBL3331464

SMILES: Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)s1

InChI Key: InChIKey=LXRJVTLMBNYRCE-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 = 50058436   
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


(MOUSE)
BDBM50058436
PNG
(CHEMBL3331464)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)s1
Show InChI InChI=1S/C21H20Cl2N4OS/c1-12-9-14-18(29-12)11-15-19(21(28)25-26-7-3-2-4-8-26)24-27(20(14)15)17-6-5-13(22)10-16(17)23/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058436
PNG
(CHEMBL3331464)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)s1
Show InChI InChI=1S/C21H20Cl2N4OS/c1-12-9-14-18(29-12)11-15-19(21(28)25-26-7-3-2-4-8-26)24-27(20(14)15)17-6-5-13(22)10-16(17)23/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
440n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair