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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 = 'BDBM50272389'   
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))
BDBM50272389
PNG
(CHEMBL526153 | N-(Adamant-1-yl)-6-bromo-1-(but-3-e...)
Show SMILES Brc1ccc2n(CCC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:14:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21|
Show InChI InChI=1S/C24H27BrN2O2/c1-2-3-6-27-14-20(22(28)19-10-18(25)4-5-21(19)27)23(29)26-24-11-15-7-16(12-24)9-17(8-15)13-24/h2,4-5,10,14-17H,1,3,6-9,11-13H2,(H,26,29)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5075-84 (2008)


Article DOI: 10.1021/jm800552f
BindingDB Entry DOI: 10.7270/Q20R9Q9B
More data for this
Ligand-Target Pair