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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 = 'BDBM50111520'   
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


(Homo sapiens (Human))
BDBM50111520
PNG
(CHEMBL3605038)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H11Cl2F3O3/c21-14-5-11(6-15(22)9-14)18-16(26)7-12(8-17(18)27)19(28)10-1-3-13(4-2-10)20(23,24)25/h1-9,26-27H
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PC cid
PC sid
UniChem

Similars

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



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analys...


Bioorg Med Chem 23: 5390-401 (2015)


Article DOI: 10.1016/j.bmc.2015.07.057
BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50111520
PNG
(CHEMBL3605038)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H11Cl2F3O3/c21-14-5-11(6-15(22)9-14)18-16(26)7-12(8-17(18)27)19(28)10-1-3-13(4-2-10)20(23,24)25/h1-9,26-27H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at CB1 receptor (unknown origin) expressed in HEK cells assessed as increase in cAMP production measured at 50 mins by ACTOn...


Bioorg Med Chem 23: 5390-401 (2015)


Article DOI: 10.1016/j.bmc.2015.07.057
BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair