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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 = 'BDBM87017'   
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))
BDBM87017
PNG
(CAS_44450408 | NSC_44450408 | S-(R)-1-((2S,3R)-1-(...)
Show SMILES CC(=O)SC(CCc1ccccc1)C1C(N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H24FNO3S/c1-17(29)32-23(16-7-18-5-3-2-4-6-18)24-25(19-8-14-22(30)15-9-19)28(26(24)31)21-12-10-20(27)11-13-21/h2-6,8-15,23-25,30H,7,16H2,1H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
52.8n/an/an/an/an/an/an/an/a



CNS Biological Research

Curated by PDSP Ki Database




J Med Chem 51: 2439-46 (2008)


Article DOI: 10.1021/jm701519h
BindingDB Entry DOI: 10.7270/Q22R3Q7S
More data for this
Ligand-Target Pair