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BDBM50040989 CHEMBL3354955

SMILES: [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC1(CO)CCCC1

InChI Key: InChIKey=PBMFBAGKYCXWOV-DGCLKSJQSA-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 = 50040989   
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))
BDBM50040989
PNG
(CHEMBL3354955)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC1(CO)CCCC1 |r|
Show InChI InChI=1S/C20H21F2N3O2/c21-12-3-4-16(15(22)9-12)25-18-13-7-11(13)8-14(18)17(24-25)19(27)23-20(10-26)5-1-2-6-20/h3-4,9,11,13,26H,1-2,5-8,10H2,(H,23,27)/t11-,13-/m1/s1
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PubMed
n/an/an/an/a 0.700n/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))
BDBM50040989
PNG
(CHEMBL3354955)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC1(CO)CCCC1 |r|
Show InChI InChI=1S/C20H21F2N3O2/c21-12-3-4-16(15(22)9-12)25-18-13-7-11(13)8-14(18)17(24-25)19(27)23-20(10-26)5-1-2-6-20/h3-4,9,11,13,26H,1-2,5-8,10H2,(H,23,27)/t11-,13-/m1/s1
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n/an/an/an/a 150n/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))
BDBM50040989
PNG
(CHEMBL3354955)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC1(CO)CCCC1 |r|
Show InChI InChI=1S/C20H21F2N3O2/c21-12-3-4-16(15(22)9-12)25-18-13-7-11(13)8-14(18)17(24-25)19(27)23-20(10-26)5-1-2-6-20/h3-4,9,11,13,26H,1-2,5-8,10H2,(H,23,27)/t11-,13-/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20n/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))
BDBM50040989
PNG
(CHEMBL3354955)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC1(CO)CCCC1 |r|
Show InChI InChI=1S/C20H21F2N3O2/c21-12-3-4-16(15(22)9-12)25-18-13-7-11(13)8-14(18)17(24-25)19(27)23-20(10-26)5-1-2-6-20/h3-4,9,11,13,26H,1-2,5-8,10H2,(H,23,27)/t11-,13-/m1/s1
PDB

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Reactome pathway
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PC sid
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Similars

Article
PubMed
n/an/an/an/a 297n/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