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BDBM50006441 CHEMBL3234680

SMILES: Clc1ccc(cc1Cl)-n1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2CCCCc12

InChI Key: InChIKey=QWXXKKDLCMLNJS-UHFFFAOYSA-N

Data: 2 EC50

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 = 50006441   
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 1


(Homo sapiens (Human))
BDBM50006441
PNG
(CHEMBL3234680)
Show SMILES Clc1ccc(cc1Cl)-n1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2CCCCc12 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C24H27Cl2N3O/c25-19-6-5-17(10-20(19)26)29-21-4-2-1-3-18(21)22(28-29)23(30)27-24-11-14-7-15(12-24)9-16(8-14)13-24/h5-6,10,14-16H,1-4,7-9,11-13H2,(H,27,30)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor assessed as inhibition of forskolin-induced cAMP production


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006441
PNG
(CHEMBL3234680)
Show SMILES Clc1ccc(cc1Cl)-n1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2CCCCc12 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C24H27Cl2N3O/c25-19-6-5-17(10-20(19)26)29-21-4-2-1-3-18(21)22(28-29)23(30)27-24-11-14-7-15(12-24)9-16(8-14)13-24/h5-6,10,14-16H,1-4,7-9,11-13H2,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair