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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 = 'BDBM50213479'   
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))
BDBM50213479
PNG
(CHEMBL394295 | N-((1R,2R)-2-(hydroxymethyl)cyclohe...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO
Show InChI InChI=1S/C26H29N3O2/c1-17-7-11-19(12-8-17)24-25(20-13-9-18(2)10-14-20)28-23(15-27-24)26(31)29-22-6-4-3-5-21(22)16-30/h7-15,21-22,30H,3-6,16H2,1-2H3,(H,29,31)/t21-,22+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
BindingDB Entry DOI: 10.7270/Q2FN15XR
More data for this
Ligand-Target Pair