BindingDB logo
myBDB logout

BDBM50286060 CHEMBL4161266

SMILES: [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)NC1(CO)CCCC1

InChI Key: InChIKey=FHKXFBYBXVWHFJ-RYUDHWBXSA-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 = 50286060   
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))
BDBM50286060
PNG
(CHEMBL4161266)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)NC1(CO)CCCC1 |r|
Show InChI InChI=1S/C18H21N5O3/c24-10-18(3-1-2-4-18)20-17(25)15-13-8-11-7-12(11)16(13)23(21-15)14-9-22(26)6-5-19-14/h5-6,9,11-12,24H,1-4,7-8,10H2,(H,20,25)/t11-,12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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))
BDBM50286060
PNG
(CHEMBL4161266)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)NC1(CO)CCCC1 |r|
Show InChI InChI=1S/C18H21N5O3/c24-10-18(3-1-2-4-18)20-17(25)15-13-8-11-7-12(11)16(13)23(21-15)14-9-22(26)6-5-19-14/h5-6,9,11-12,24H,1-4,7-8,10H2,(H,20,25)/t11-,12-/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.80n/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))
BDBM50286060
PNG
(CHEMBL4161266)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)NC1(CO)CCCC1 |r|
Show InChI InChI=1S/C18H21N5O3/c24-10-18(3-1-2-4-18)20-17(25)15-13-8-11-7-12(11)16(13)23(21-15)14-9-22(26)6-5-19-14/h5-6,9,11-12,24H,1-4,7-8,10H2,(H,20,25)/t11-,12-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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))
BDBM50286060
PNG
(CHEMBL4161266)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)NC1(CO)CCCC1 |r|
Show InChI InChI=1S/C18H21N5O3/c24-10-18(3-1-2-4-18)20-17(25)15-13-8-11-7-12(11)16(13)23(21-15)14-9-22(26)6-5-19-14/h5-6,9,11-12,24H,1-4,7-8,10H2,(H,20,25)/t11-,12-/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 5.60n/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