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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 = 'BDBM240576'   
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))
BDBM240576
PNG
(US9409866, 291 | US9409866, 292)
Show SMILES CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC1(CC(N)=O)CS(=O)(=O)C1
Show InChI InChI=1/C17H22FN3O5S/c1-10(6-18)26-14-4-13(20-7-12(14)11-2-3-11)16(23)21-17(5-15(19)22)8-27(24,25)9-17/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,19,22)(H,21,23)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.90n/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 US9409866 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM240576
PNG
(US9409866, 291 | US9409866, 292)
Show SMILES CC(CF)Oc1cc(ncc1C1CC1)C(=O)NC1(CC(N)=O)CS(=O)(=O)C1
Show InChI InChI=1/C17H22FN3O5S/c1-10(6-18)26-14-4-13(20-7-12(14)11-2-3-11)16(23)21-17(5-15(19)22)8-27(24,25)9-17/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,19,22)(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.300n/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 US9409866 (2016)

More data for this
Ligand-Target Pair