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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 = 'BDBM259995'   
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))
BDBM259995
PNG
(US9512132, 31)
Show SMILES Cn1nnnc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C16H23N9O/c1-16(2,3)15-18-13(24-6-5-10(26)8-24)11-7-17-25(14(11)19-15)9-12-20-21-22-23(12)4/h7,10,26H,5-6,8-9H2,1-4H3/t10-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50,000 cells per well in a black 96 well plate with fl...


US Patent US9694012 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0DPM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM259995
PNG
(US9512132, 31)
Show SMILES Cn1nnnc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C16H23N9O/c1-16(2,3)15-18-13(24-6-5-10(26)8-24)11-7-17-25(14(11)19-15)9-12-20-21-22-23(12)4/h7,10,26H,5-6,8-9H2,1-4H3/t10-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...


US Patent US9512132 (2016)


BindingDB Entry DOI: 10.7270/Q2P26X39
More data for this
Ligand-Target Pair