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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM163068'   
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 1


(Homo sapiens (Human))
BDBM163068
PNG
(US9062004, 35 | US9670216, 35 2-Propyl-5-(3,3,5,5-...)
Show SMILES CCCn1cc2c(cnn(C3CC(C)(C)CC(C)(C)C3)c2=O)n1
Show InChI InChI=1S/C18H28N4O/c1-6-7-21-11-14-15(20-21)10-19-22(16(14)23)13-8-17(2,3)12-18(4,5)9-13/h10-11,13H,6-9,12H2,1-5H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM163068
PNG
(US9062004, 35 | US9670216, 35 2-Propyl-5-(3,3,5,5-...)
Show SMILES CCCn1cc2c(cnn(C3CC(C)(C)CC(C)(C)C3)c2=O)n1
Show InChI InChI=1S/C18H28N4O/c1-6-7-21-11-14-15(20-21)10-19-22(16(14)23)13-8-17(2,3)12-18(4,5)9-13/h10-11,13H,6-9,12H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair