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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 = 'BDBM50244270'   
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))
BDBM50244270
PNG
(CHEMBL4099175)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2CCC(C)C)cc1
Show InChI InChI=1S/C28H31N3O2/c1-4-33-24-13-10-21(11-14-24)18-27-30-25-19-23(29-28(32)22-8-6-5-7-9-22)12-15-26(25)31(27)17-16-20(2)3/h5-15,19-20H,4,16-18H2,1-3H3,(H,29,32)
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PC cid
PC sid
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Similars

Article
PubMed
4.30E+3n/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))
BDBM50244270
PNG
(CHEMBL4099175)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2CCC(C)C)cc1
Show InChI InChI=1S/C28H31N3O2/c1-4-33-24-13-10-21(11-14-24)18-27-30-25-19-23(29-28(32)22-8-6-5-7-9-22)12-15-26(25)31(27)17-16-20(2)3/h5-15,19-20H,4,16-18H2,1-3H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.98E+3n/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