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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM373528'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM373528
PNG
(US9902726, Compound 5)
Show SMILES CS(=O)(=O)c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O
Show InChI InChI=1S/C24H28N2O5S/c1-32(30,31)20-8-16-11-24(29)21-9-15-4-5-17(27)10-18(15)23(24,12-19(16)25-22(20)28)6-7-26(21)13-14-2-3-14/h4-5,8,10,14,21,27,29H,2-3,6-7,9,11-13H2,1H3,(H,25,28)/t21-,23-,24-/m1/s1
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US Patent
360n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
κ-Opioid: Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane ...


US Patent US9902726 (2018)


BindingDB Entry DOI: 10.7270/Q25B04T1
More data for this
Ligand-Target Pair