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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 = 'BDBM50030073'   
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))
BDBM50030073
PNG
(CHEMBL3353434)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCC(O)=O)c1=O |(13.95,-11.78,;12.62,-12.55,;12.62,-14.1,;11.29,-14.87,;9.95,-14.1,;9.94,-12.56,;11.28,-11.79,;8.62,-14.87,;7.28,-14.11,;7.27,-12.57,;5.95,-14.89,;4.62,-14.13,;3.29,-14.9,;1.96,-14.14,;.63,-14.91,;.63,-16.45,;1.96,-17.22,;3.29,-16.45,;4.63,-17.21,;4.63,-18.75,;5.97,-19.52,;5.97,-21.06,;7.3,-21.83,;7.31,-23.37,;8.64,-21.05,;5.96,-16.44,;7.3,-17.2,)|
Show InChI InChI=1S/C20H25N3O4/c1-13-6-8-15(9-7-13)22-19(26)16-12-14-4-2-10-21-18(14)23(20(16)27)11-3-5-17(24)25/h2,4,10,12-13,15H,3,5-9,11H2,1H3,(H,22,26)(H,24,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair