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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 = 'BDBM50160425'   
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))
BDBM50160425
PNG
(4-Methoxy-N-((S)-1-{4-[4-methoxy-2-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C30H29NO8S2/c1-20(31-30(32)22-5-9-23(37-2)10-6-22)21-7-14-26(15-8-21)40(33,34)28-18-13-25(39-4)19-29(28)41(35,36)27-16-11-24(38-3)12-17-27/h5-20H,1-4H3,(H,31,32)/t20-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.17E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair