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BDBM50152102 CHEMBL3781781

SMILES: Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1

InChI Key: InChIKey=UJOZELUXKWKUGS-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 = 50152102   
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))
BDBM50152102
PNG
(CHEMBL3781781)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C25H24Cl2N4O/c26-18-7-9-22(21(27)14-18)31-24-19-8-6-16(15-4-5-15)12-17(19)13-20(24)23(28-31)25(32)29-30-10-2-1-3-11-30/h6-9,12,14-15H,1-5,10-11,13H2,(H,29,32)
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
69n/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))
BDBM50152102
PNG
(CHEMBL3781781)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C25H24Cl2N4O/c26-18-7-9-22(21(27)14-18)31-24-19-8-6-16(15-4-5-15)12-17(19)13-20(24)23(28-31)25(32)29-30-10-2-1-3-11-30/h6-9,12,14-15H,1-5,10-11,13H2,(H,29,32)
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.85E+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 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 2


(Homo sapiens (Human))
BDBM50152102
PNG
(CHEMBL3781781)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C25H24Cl2N4O/c26-18-7-9-22(21(27)14-18)31-24-19-8-6-16(15-4-5-15)12-17(19)13-20(24)23(28-31)25(32)29-30-10-2-1-3-11-30/h6-9,12,14-15H,1-5,10-11,13H2,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 294n/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Antagonist/inverse agonist activity at human CB2 receptors expressed in human Chem4 cell membrane incubated for 30 mins by [35S]GTPgammaS binding ass...


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


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