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BDBM50392580 CHEMBL2152831

SMILES: Fc1ccc2c(c1)n(cc(C(=O)NN1CCCCC1)c2=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=AJVCQINLRUJBDY-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 = 50392580   
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))
BDBM50392580
PNG
(CHEMBL2152831)
Show SMILES Fc1ccc2c(c1)n(cc(C(=O)NN1CCCCC1)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClFN3O2/c22-14-4-7-16(8-5-14)26-13-18(21(28)24-25-10-2-1-3-11-25)20(27)17-9-6-15(23)12-19(17)26/h4-9,12-13H,1-3,10-11H2,(H,24,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392580
PNG
(CHEMBL2152831)
Show SMILES Fc1ccc2c(c1)n(cc(C(=O)NN1CCCCC1)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClFN3O2/c22-14-4-7-16(8-5-14)26-13-18(21(28)24-25-10-2-1-3-11-25)20(27)17-9-6-15(23)12-19(17)26/h4-9,12-13H,1-3,10-11H2,(H,24,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair