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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM295696'   
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))
BDBM295696
PNG
(US10112934, Example 5 | US10570125, Example 5 | US...)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H29N5O4S/c1-17(2,12-19)14-11-15(27-21-14)20-16(24)18(3,4)22(5)13-7-9-23(10-8-13)28(6,25)26/h11,13H,7-10H2,1-6H3,(H,20,24)
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.230n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. A...


US Patent US10112934 (2018)


BindingDB Entry DOI: 10.7270/Q2F191RP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM295696
PNG
(US10112934, Example 5 | US10570125, Example 5 | US...)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H29N5O4S/c1-17(2,12-19)14-11-15(27-21-14)20-16(24)18(3,4)22(5)13-7-9-23(10-8-13)28(6,25)26/h11,13H,7-10H2,1-6H3,(H,20,24)
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PC cid
PC sid
UniChem
n/an/an/an/a 0.230n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM295696
PNG
(US10112934, Example 5 | US10570125, Example 5 | US...)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H29N5O4S/c1-17(2,12-19)14-11-15(27-21-14)20-16(24)18(3,4)22(5)13-7-9-23(10-8-13)28(6,25)26/h11,13H,7-10H2,1-6H3,(H,20,24)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.230n/an/an/an/a


TBA

Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25Q508W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM295696
PNG
(US10112934, Example 5 | US10570125, Example 5 | US...)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H29N5O4S/c1-17(2,12-19)14-11-15(27-21-14)20-16(24)18(3,4)22(5)13-7-9-23(10-8-13)28(6,25)26/h11,13H,7-10H2,1-6H3,(H,20,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.230n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CB2: CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37°...


US Patent US10570125 (2020)


BindingDB Entry DOI: 10.7270/Q21C209H
More data for this
Ligand-Target Pair