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BDBM50040975 CHEMBL3354970

SMILES: [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1)C(=O)NC(C)(C)CO

InChI Key: InChIKey=XSKXHXDVPDTNLO-ZWNOBZJWSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50040975   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040975
PNG
(CHEMBL3354970)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H20FN3O2/c1-18(2,9-23)20-17(24)15-14-8-10-7-13(10)16(14)22(21-15)12-5-3-11(19)4-6-12/h3-6,10,13,23H,7-9H2,1-2H3,(H,20,24)/t10-,13-/m1/s1
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PubMed
n/an/an/an/a 25n/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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50040975
PNG
(CHEMBL3354970)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H20FN3O2/c1-18(2,9-23)20-17(24)15-14-8-10-7-13(10)16(14)22(21-15)12-5-3-11(19)4-6-12/h3-6,10,13,23H,7-9H2,1-2H3,(H,20,24)/t10-,13-/m1/s1
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PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1 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


(Rattus norvegicus (Rat))
BDBM50040975
PNG
(CHEMBL3354970)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H20FN3O2/c1-18(2,9-23)20-17(24)15-14-8-10-7-13(10)16(14)22(21-15)12-5-3-11(19)4-6-12/h3-6,10,13,23H,7-9H2,1-2H3,(H,20,24)/t10-,13-/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 35n/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 1


(Homo sapiens (Human))
BDBM50040975
PNG
(CHEMBL3354970)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H20FN3O2/c1-18(2,9-23)20-17(24)15-14-8-10-7-13(10)16(14)22(21-15)12-5-3-11(19)4-6-12/h3-6,10,13,23H,7-9H2,1-2H3,(H,20,24)/t10-,13-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 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