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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 = 'BDBM50040973'   
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


(Rattus norvegicus (Rat))
BDBM50040973
PNG
(CHEMBL3354972)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1c(F)cccc1F)C(=O)NC(C)(C)CO |r,wU:1.0,3.4,(21.92,-31.59,;21.53,-33.09,;20.13,-32.44,;20.27,-33.98,;18.93,-33.2,;20.73,-35.45,;22.27,-35.46,;22.76,-34,;22.73,-36.93,;21.48,-37.82,;20.24,-36.9,;18.7,-36.94,;17.97,-38.29,;18.78,-39.6,;16.43,-38.33,;15.62,-37.01,;16.36,-35.65,;17.9,-35.62,;18.65,-34.27,;24.07,-37.69,;24.09,-39.23,;25.4,-36.9,;26.74,-37.66,;27.51,-38.99,;25.97,-38.98,;28.08,-36.88,;29.41,-37.65,)|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)14-11-7-9-6-10(9)15(11)23(22-14)16-12(19)4-3-5-13(16)20/h3-5,9-10,24H,6-8H2,1-2H3,(H,21,25)/t9-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.80E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040973
PNG
(CHEMBL3354972)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1c(F)cccc1F)C(=O)NC(C)(C)CO |r,wU:1.0,3.4,(21.92,-31.59,;21.53,-33.09,;20.13,-32.44,;20.27,-33.98,;18.93,-33.2,;20.73,-35.45,;22.27,-35.46,;22.76,-34,;22.73,-36.93,;21.48,-37.82,;20.24,-36.9,;18.7,-36.94,;17.97,-38.29,;18.78,-39.6,;16.43,-38.33,;15.62,-37.01,;16.36,-35.65,;17.9,-35.62,;18.65,-34.27,;24.07,-37.69,;24.09,-39.23,;25.4,-36.9,;26.74,-37.66,;27.51,-38.99,;25.97,-38.98,;28.08,-36.88,;29.41,-37.65,)|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)14-11-7-9-6-10(9)15(11)23(22-14)16-12(19)4-3-5-13(16)20/h3-5,9-10,24H,6-8H2,1-2H3,(H,21,25)/t9-,10-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.30E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair