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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50377703'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377703
PNG
(CHEMBL258243)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:21.22.27,27:22:29:28.26.25,27:26:29:21.22.23,THB:23:22:28:29.24.25|
Show InChI InChI=1S/C23H32N2O4S/c1-16-2-3-20(11-21(16)30(27,28)25-4-6-29-7-5-25)22(26)24-15-23-12-17-8-18(13-23)10-19(9-17)14-23/h2-3,11,17-19H,4-10,12-15H2,1H3,(H,24,26)
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PC cid
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Article
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10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cloned CB2 receptor


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377703
PNG
(CHEMBL258243)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:21.22.27,27:22:29:28.26.25,27:26:29:21.22.23,THB:23:22:28:29.24.25|
Show InChI InChI=1S/C23H32N2O4S/c1-16-2-3-20(11-21(16)30(27,28)25-4-6-29-7-5-25)22(26)24-15-23-12-17-8-18(13-23)10-19(9-17)14-23/h2-3,11,17-19H,4-10,12-15H2,1H3,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 2830-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M
More data for this
Ligand-Target Pair