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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 = 'BDBM50328666'   
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))
BDBM50328666
PNG
((6aR,10aR)-3-[1-(5-Bromopentyl)cyclopentyl]-6,6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCBr)CCCC1 |r|
Show InChI InChI=1S/C25H35BrO3/c1-24(2)20-9-8-18(27)16-19(20)23-21(28)14-17(15-22(23)29-24)25(11-5-6-12-25)10-4-3-7-13-26/h14-15,19-20,28H,3-13,16H2,1-2H3/t19-,20-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.32n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50328666
PNG
((6aR,10aR)-3-[1-(5-Bromopentyl)cyclopentyl]-6,6a,7...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCBr)CCCC1 |r|
Show InChI InChI=1S/C25H35BrO3/c1-24(2)20-9-8-18(27)16-19(20)23-21(28)14-17(15-22(23)29-24)25(11-5-6-12-25)10-4-3-7-13-26/h14-15,19-20,28H,3-13,16H2,1-2H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.59n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair