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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50095900'   
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))
BDBM50095900
PNG
(CHEMBL3590296)
Show SMILES CCCCCN1C(=O)\C(=C\NC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(OC)ccc12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|
Show InChI InChI=1S/C18H20N8O4/c1-2-21-17(29)14-12(27)13(28)18(30-14)26-9-22-11-15(19)23-10(24-16(11)26)4-3-6-25-7-5-20-8-25/h5,7-9,12-14,18,27-28H,2,6H2,1H3,(H,21,29)(H2,19,23,24)/t12-,13+,14+,18?/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair