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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 = 'BDBM364563'   
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))
BDBM364563
PNG
((4bR,6S,8aS,9S)-11-(cyclopropylmethyl)-6- hydroxy-...)
Show SMILES COc1ccc2C(=O)[C@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(O)CC[C@@]34OC5=O)c2c1 |r,TLB:10:9:22:26.5.6,THB:25:24:21.20:17.16|
Show InChI InChI=1S/C22H25NO5/c1-27-14-4-5-15-16(10-14)20-8-9-23(11-13-2-3-13)18(17(15)24)22(20)7-6-21(26,12-20)19(25)28-22/h4-5,10,13,18,26H,2-3,6-9,11-12H2,1H3/t18-,20-,21+,22-/m1/s1
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PC cid
PC sid
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US Patent
3.35E+3n/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