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BDBM50040984 CHEMBL3354961

SMILES: [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)N[C@@H]1[C@]2(C)CC[C@@]([H])(C2)C1(C)C

InChI Key: InChIKey=OADZFRLWRRTMDX-HTERXRQYSA-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 = 50040984   
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))
BDBM50040984
PNG
(CHEMBL3354961)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)N[C@@H]1[C@]2(C)CC[C@@]([H])(C2)C1(C)C |r|
Show InChI InChI=1S/C24H27F2N3O/c1-23(2)13-6-7-24(3,11-13)22(23)27-21(30)19-16-9-12-8-15(12)20(16)29(28-19)18-5-4-14(25)10-17(18)26/h4-5,10,12-13,15,22H,6-9,11H2,1-3H3,(H,27,30)/t12-,13+,15-,22+,24-/m1/s1
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n/an/an/an/a 1.10n/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))
BDBM50040984
PNG
(CHEMBL3354961)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)N[C@@H]1[C@]2(C)CC[C@@]([H])(C2)C1(C)C |r|
Show InChI InChI=1S/C24H27F2N3O/c1-23(2)13-6-7-24(3,11-13)22(23)27-21(30)19-16-9-12-8-15(12)20(16)29(28-19)18-5-4-14(25)10-17(18)26/h4-5,10,12-13,15,22H,6-9,11H2,1-3H3,(H,27,30)/t12-,13+,15-,22+,24-/m1/s1
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PC sid
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n/an/an/an/a 498n/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))
BDBM50040984
PNG
(CHEMBL3354961)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)N[C@@H]1[C@]2(C)CC[C@@]([H])(C2)C1(C)C |r|
Show InChI InChI=1S/C24H27F2N3O/c1-23(2)13-6-7-24(3,11-13)22(23)27-21(30)19-16-9-12-8-15(12)20(16)29(28-19)18-5-4-14(25)10-17(18)26/h4-5,10,12-13,15,22H,6-9,11H2,1-3H3,(H,27,30)/t12-,13+,15-,22+,24-/m1/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 591n/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))
BDBM50040984
PNG
(CHEMBL3354961)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)N[C@@H]1[C@]2(C)CC[C@@]([H])(C2)C1(C)C |r|
Show InChI InChI=1S/C24H27F2N3O/c1-23(2)13-6-7-24(3,11-13)22(23)27-21(30)19-16-9-12-8-15(12)20(16)29(28-19)18-5-4-14(25)10-17(18)26/h4-5,10,12-13,15,22H,6-9,11H2,1-3H3,(H,27,30)/t12-,13+,15-,22+,24-/m1/s1
PDB

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PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 217n/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