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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 = 'BDBM50160445'   
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))
BDBM50160445
PNG
(3,5-Dichloro-N-((S)-1-{4-[4-methoxy-2-(4-methoxy-b...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H25Cl2NO8S3/c1-18(31-42(36,37)24-13-14-25(29)26(30)17-24)19-4-9-22(10-5-19)40(32,33)27-15-8-21(39-3)16-28(27)41(34,35)23-11-6-20(38-2)7-12-23/h4-18,31H,1-3H3/t18-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
117n/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