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BDBM50152121 CHEMBL3781726

SMILES: Cl.Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCc3cc(ccc3-c12)C1CC1

InChI Key: InChIKey=NPZNCYZCJITRAG-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 = 50152121   
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))
BDBM50152121
PNG
(CHEMBL3781726)
Show SMILES Cl.Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C26H26Cl2N4O.ClH/c27-19-8-11-23(22(28)15-19)32-25-20-9-6-17(16-4-5-16)14-18(20)7-10-21(25)24(29-32)26(33)30-31-12-2-1-3-13-31;/h6,8-9,11,14-16H,1-5,7,10,12-13H2,(H,30,33);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
143n/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 expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152121
PNG
(CHEMBL3781726)
Show SMILES Cl.Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C26H26Cl2N4O.ClH/c27-19-8-11-23(22(28)15-19)32-25-20-9-6-17(16-4-5-16)14-18(20)7-10-21(25)24(29-32)26(33)30-31-12-2-1-3-13-31;/h6,8-9,11,14-16H,1-5,7,10,12-13H2,(H,30,33);1H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>4.00E+4n/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 expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair