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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 = 'BDBM50324655'   
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))
BDBM50324655
PNG
(CHEMBL1215976 | N-(Adamantan-1-yl)-6-ethyl-4-oxo-1...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CC)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C27H36N2O2/c1-3-5-6-9-29-17-23(25(30)22-13-18(4-2)7-8-24(22)29)26(31)28-27-14-19-10-20(15-27)12-21(11-19)16-27/h7-8,13,17,19-21H,3-6,9-12,14-16H2,1-2H3,(H,28,31)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
16.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324655
PNG
(CHEMBL1215976 | N-(Adamantan-1-yl)-6-ethyl-4-oxo-1...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CC)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C27H36N2O2/c1-3-5-6-9-29-17-23(25(30)22-13-18(4-2)7-8-24(22)29)26(31)28-27-14-19-10-20(15-27)12-21(11-19)16-27/h7-8,13,17,19-21H,3-6,9-12,14-16H2,1-2H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair