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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 = 'BDBM50244246'   
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))
BDBM50244246
PNG
(CHEMBL4095946)
Show SMILES CCOc1ccc(Nc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H37N5O2/c1-4-31(5-2)26(33)21-10-15-25-24(20-21)29-27(28-22-11-13-23(14-12-22)34-6-3)32(25)19-18-30-16-8-7-9-17-30/h10-15,20H,4-9,16-19H2,1-3H3,(H,28,29)
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Article
PubMed
1.04E+4n/an/an/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method


J Med Chem 61: 1646-1663 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01760
BindingDB Entry DOI: 10.7270/Q2RJ4MWK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244246
PNG
(CHEMBL4095946)
Show SMILES CCOc1ccc(Nc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H37N5O2/c1-4-31(5-2)26(33)21-10-15-25-24(20-21)29-27(28-22-11-13-23(14-12-22)34-6-3)32(25)19-18-30-16-8-7-9-17-30/h10-15,20H,4-9,16-19H2,1-3H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method


J Med Chem 61: 1646-1663 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01760
BindingDB Entry DOI: 10.7270/Q2RJ4MWK
More data for this
Ligand-Target Pair