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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 = 'BDBM50379703'   
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))
BDBM50379703
PNG
(CHEMBL2010897)
Show SMILES CCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:11:10:18.12.13:15,THB:8:10:18.12.13:15,11:12:15:17.10|
Show InChI InChI=1S/C20H26N2O3S/c1-2-21-17(23)16-14-3-4-25-10-15(14)26-18(16)22-19(24)20-8-11-5-12(9-20)7-13(20)6-11/h11-13H,2-10H2,1H3,(H,21,23)(H,22,24)
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PC cid
PC sid
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Similars

Article
PubMed
214n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem Lett 22: 2604-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.121
BindingDB Entry DOI: 10.7270/Q2FN1765
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50379703
PNG
(CHEMBL2010897)
Show SMILES CCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12 |TLB:11:10:18.12.13:15,THB:8:10:18.12.13:15,11:12:15:17.10|
Show InChI InChI=1S/C20H26N2O3S/c1-2-21-17(23)16-14-3-4-25-10-15(14)26-18(16)22-19(24)20-8-11-5-12(9-20)7-13(20)6-11/h11-13H,2-10H2,1H3,(H,21,23)(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
295n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from rat recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem Lett 22: 2604-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.121
BindingDB Entry DOI: 10.7270/Q2FN1765
More data for this
Ligand-Target Pair