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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 = 'BDBM50090962'   
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))
BDBM50090962
PNG
(CHEMBL3582017)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)C1CCC1
Show InChI InChI=1S/C24H33N5O4/c1-24(2,11-20-27-28-22(33-20)16-5-4-6-16)26-21(30)18-9-10-19(29-12-17(13-29)31-3)23(25-18)32-14-15-7-8-15/h9-10,15-17H,4-8,11-14H2,1-3H3,(H,26,30)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090962
PNG
(CHEMBL3582017)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)C1CCC1
Show InChI InChI=1S/C24H33N5O4/c1-24(2,11-20-27-28-22(33-20)16-5-4-6-16)26-21(30)18-9-10-19(29-12-17(13-29)31-3)23(25-18)32-14-15-7-8-15/h9-10,15-17H,4-8,11-14H2,1-3H3,(H,26,30)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 4.01E+3n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair