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BDBM50048483 CHEMBL3310164

SMILES: CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCCCCCCCCN(C)C)cc1

InChI Key: InChIKey=HJRTXLVNPHKZKY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50048483   
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


(Homo sapiens (Human))
BDBM50048483
PNG
(CHEMBL3310164)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCCCCCCCCN(C)C)cc1
Show InChI InChI=1S/C34H52N4O2/c1-6-40-30-18-15-28(16-19-30)25-33-36-31-26-29(17-20-32(31)38(33)24-21-27(2)3)34(39)35-22-13-11-9-7-8-10-12-14-23-37(4)5/h15-20,26-27H,6-14,21-25H2,1-5H3,(H,35,39)
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Similars

Article
PubMed
n/an/an/an/a 2.40E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...


Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50048483
PNG
(CHEMBL3310164)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCCCCCCCCN(C)C)cc1
Show InChI InChI=1S/C34H52N4O2/c1-6-40-30-18-15-28(16-19-30)25-33-36-31-26-29(17-20-32(31)38(33)24-21-27(2)3)34(39)35-22-13-11-9-7-8-10-12-14-23-37(4)5/h15-20,26-27H,6-14,21-25H2,1-5H3,(H,35,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.95E+4n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...


Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair