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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 = 'BDBM364546'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM364546
PNG
((4bR,6S,8aS,9R)-11-(cyclopropylmethyl)- 3,6-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(O)CC[C@@]34OC5=O)c2c1 |r,TLB:8:7:20:24.4.5,THB:23:22:14.15:19.18|
Show InChI InChI=1S/C21H25NO4/c23-15-4-3-14-9-17-21-6-5-20(25,18(24)26-21)12-19(21,16(14)10-15)7-8-22(17)11-13-1-2-13/h3-4,10,13,17,23,25H,1-2,5-9,11-12H2/t17-,19-,20?,21-/m1/s1
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US Patent
0.950n/an/an/an/an/an/an/an/a



GNF



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


J Med Chem 50: 4255-9 (2007)


BindingDB Entry DOI: 10.7270/Q2222X2R
More data for this
Ligand-Target Pair