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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 = 'BDBM163054'   
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))
BDBM163054
PNG
(US9062004, 18 | US9670216, 18 4-Chloro-2-(3,5-dime...)
Show SMILES Cc1cc(C)cc(c1)-n1ncc(NCCN2CCOCC2)c(Cl)c1=O
Show InChI InChI=1S/C18H23ClN4O2/c1-13-9-14(2)11-15(10-13)23-18(24)17(19)16(12-21-23)20-3-4-22-5-7-25-8-6-22/h9-12,20H,3-8H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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))
BDBM163054
PNG
(US9062004, 18 | US9670216, 18 4-Chloro-2-(3,5-dime...)
Show SMILES Cc1cc(C)cc(c1)-n1ncc(NCCN2CCOCC2)c(Cl)c1=O
Show InChI InChI=1S/C18H23ClN4O2/c1-13-9-14(2)11-15(10-13)23-18(24)17(19)16(12-21-23)20-3-4-22-5-7-25-8-6-22/h9-12,20H,3-8H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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