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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50267670'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50267670
PNG
(CHEMBL490046 | N-cyclopropyl-11-(3,5-dihydroxyphen...)
Show SMILES Oc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C20H31NO4/c22-17-13-18(23)15-19(14-17)25-12-8-6-4-2-1-3-5-7-9-20(24)21-16-10-11-16/h13-16,22-23H,1-12H2,(H,21,24)
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor in rat spleen membrane


J Med Chem 52: 2506-14 (2009)


Article DOI: 10.1021/jm8016255
BindingDB Entry DOI: 10.7270/Q2X34XCN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50267670
PNG
(CHEMBL490046 | N-cyclopropyl-11-(3,5-dihydroxyphen...)
Show SMILES Oc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1
Show InChI InChI=1S/C20H31NO4/c22-17-13-18(23)15-19(14-17)25-12-8-6-4-2-1-3-5-7-9-20(24)21-16-10-11-16/h13-16,22-23H,1-12H2,(H,21,24)
PDB

Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor in rat brain membrane


J Med Chem 52: 2506-14 (2009)


Article DOI: 10.1021/jm8016255
BindingDB Entry DOI: 10.7270/Q2X34XCN
More data for this
Ligand-Target Pair