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BDBM50232934 CHEMBL4098746

SMILES: O=C(NC1CCCCCC1)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1

InChI Key: InChIKey=IAVWAJLRGCFZOV-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 = 50232934   
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))
BDBM50232934
PNG
(CHEMBL4098746)
Show SMILES O=C(NC1CCCCCC1)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H29N3O2/c27-22(24-18-12-6-1-2-7-13-18)20-16-21(17-10-4-3-5-11-17)25-26(23(20)28)19-14-8-9-15-19/h3-5,10-11,16,18-19H,1-2,6-9,12-15H2,(H,24,27)
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
13n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50232934
PNG
(CHEMBL4098746)
Show SMILES O=C(NC1CCCCCC1)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H29N3O2/c27-22(24-18-12-6-1-2-7-13-18)20-16-21(17-10-4-3-5-11-17)25-26(23(20)28)19-14-8-9-15-19/h3-5,10-11,16,18-19H,1-2,6-9,12-15H2,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
365n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair