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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 = 'BDBM50389340'   
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


(Rattus norvegicus (rat))
BDBM50389340
PNG
(CHEMBL2064069)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)C(=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H25NO4/c1-24(2)18-8-7-14(26)11-16(18)22-20(27)9-13(10-21(22)29-24)23(28)17-12-25-19-6-4-3-5-15(17)19/h3-6,9-10,12,14,16,18,25-27H,7-8,11H2,1-2H3/t14-,16-,18-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
1.05E+3n/an/an/an/an/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from rat brain CB1 receptor


Bioorg Med Chem Lett 22: 5322-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.013
BindingDB Entry DOI: 10.7270/Q2WS8VBG
More data for this
Ligand-Target Pair