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BDBM50040979 CHEMBL3354966

SMILES: [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NCC1CCOCC1

InChI Key: InChIKey=BIMFLDLUJSAALT-JSGCOSHPSA-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 = 50040979   
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))
BDBM50040979
PNG
(CHEMBL3354966)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NCC1CCOCC1 |r|
Show InChI InChI=1S/C20H21F2N3O2/c21-13-1-2-17(16(22)9-13)25-19-14-7-12(14)8-15(19)18(24-25)20(26)23-10-11-3-5-27-6-4-11/h1-2,9,11-12,14H,3-8,10H2,(H,23,26)/t12-,14-/m0/s1
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Article
PubMed
n/an/an/an/a 76n/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))
BDBM50040979
PNG
(CHEMBL3354966)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NCC1CCOCC1 |r|
Show InChI InChI=1S/C20H21F2N3O2/c21-13-1-2-17(16(22)9-13)25-19-14-7-12(14)8-15(19)18(24-25)20(26)23-10-11-3-5-27-6-4-11/h1-2,9,11-12,14H,3-8,10H2,(H,23,26)/t12-,14-/m0/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))
BDBM50040979
PNG
(CHEMBL3354966)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NCC1CCOCC1 |r|
Show InChI InChI=1S/C20H21F2N3O2/c21-13-1-2-17(16(22)9-13)25-19-14-7-12(14)8-15(19)18(24-25)20(26)23-10-11-3-5-27-6-4-11/h1-2,9,11-12,14H,3-8,10H2,(H,23,26)/t12-,14-/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 67n/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))
BDBM50040979
PNG
(CHEMBL3354966)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NCC1CCOCC1 |r|
Show InChI InChI=1S/C20H21F2N3O2/c21-13-1-2-17(16(22)9-13)25-19-14-7-12(14)8-15(19)18(24-25)20(26)23-10-11-3-5-27-6-4-11/h1-2,9,11-12,14H,3-8,10H2,(H,23,26)/t12-,14-/m0/s1
PDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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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