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BDBM50081032 CHEMBL3421693

SMILES: CCCCCn1cc2c(nn(CCCc3ccccc3)c2=O)c2ccccc12

InChI Key: InChIKey=IUPLKYNLPBIJLF-UHFFFAOYSA-N

Data: 2 KI

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 = 50081032   
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))
BDBM50081032
PNG
(CHEMBL3421693)
Show SMILES CCCCCn1cc2c(nn(CCCc3ccccc3)c2=O)c2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-2-3-9-16-26-18-21-23(20-14-7-8-15-22(20)26)25-27(24(21)28)17-10-13-19-11-5-4-6-12-19/h4-8,11-12,14-15,18H,2-3,9-10,13,16-17H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50081032
PNG
(CHEMBL3421693)
Show SMILES CCCCCn1cc2c(nn(CCCc3ccccc3)c2=O)c2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-2-3-9-16-26-18-21-23(20-14-7-8-15-22(20)26)25-27(24(21)28)17-10-13-19-11-5-4-6-12-19/h4-8,11-12,14-15,18H,2-3,9-10,13,16-17H2,1H3
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair