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BDBM50286064 CHEMBL4174510

SMILES: [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CF)C(C)(C)C

InChI Key: InChIKey=IKXXNANBPFEGKO-GMXVVIOVSA-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 = 50286064   
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 1


(Rattus norvegicus (rat))
BDBM50286064
PNG
(CHEMBL4174510)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CF)C(C)(C)C |r|
Show InChI InChI=1S/C18H22FN5O2/c1-18(2,3)13(8-19)21-17(25)15-12-7-10-6-11(10)16(12)24(22-15)14-9-23(26)5-4-20-14/h4-5,9-11,13H,6-8H2,1-3H3,(H,21,25)/t10-,11-,13+/m0/s1
PDB

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PC sid
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Similars

Article
PubMed
n/an/an/an/a 840n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat CB1 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hr...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50286064
PNG
(CHEMBL4174510)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CF)C(C)(C)C |r|
Show InChI InChI=1S/C18H22FN5O2/c1-18(2,3)13(8-19)21-17(25)15-12-7-10-6-11(10)16(12)24(22-15)14-9-23(26)5-4-20-14/h4-5,9-11,13H,6-8H2,1-3H3,(H,21,25)/t10-,11-,13+/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat CB2 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hr...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50286064
PNG
(CHEMBL4174510)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CF)C(C)(C)C |r|
Show InChI InChI=1S/C18H22FN5O2/c1-18(2,3)13(8-19)21-17(25)15-12-7-10-6-11(10)16(12)24(22-15)14-9-23(26)5-4-20-14/h4-5,9-11,13H,6-8H2,1-3H3,(H,21,25)/t10-,11-,13+/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 ...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50286064
PNG
(CHEMBL4174510)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CF)C(C)(C)C |r|
Show InChI InChI=1S/C18H22FN5O2/c1-18(2,3)13(8-19)21-17(25)15-12-7-10-6-11(10)16(12)24(22-15)14-9-23(26)5-4-20-14/h4-5,9-11,13H,6-8H2,1-3H3,(H,21,25)/t10-,11-,13+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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 recombinant human CB2 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 ...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair