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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 = 'BDBM163071'   
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))
BDBM163071
PNG
(US9062004, 38 | US9670216, 38 1-(2-Dimethylaminoet...)
Show SMILES CN(C)CCn1ncc2c1cnn(C1CC(C)(C)CC(C)(C)C1)c2=O
Show InChI InChI=1S/C19H31N5O/c1-18(2)9-14(10-19(3,4)13-18)24-17(25)15-11-20-23(8-7-22(5)6)16(15)12-21-24/h11-12,14H,7-10,13H2,1-6H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.98E+3n/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))
BDBM163071
PNG
(US9062004, 38 | US9670216, 38 1-(2-Dimethylaminoet...)
Show SMILES CN(C)CCn1ncc2c1cnn(C1CC(C)(C)CC(C)(C)C1)c2=O
Show InChI InChI=1S/C19H31N5O/c1-18(2)9-14(10-19(3,4)13-18)24-17(25)15-11-20-23(8-7-22(5)6)16(15)12-21-24/h11-12,14H,7-10,13H2,1-6H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.98E+3n/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