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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 = 'BDBM364557'   
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))
BDBM364557
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)C3CC3)c2c1 |r,TLB:9:8:20:29.5.6|
Show InChI InChI=1S/C26H34N2O3/c1-30-20-7-6-19-12-22-26-9-8-24(16-31-26,27-23(29)18-4-5-18)15-25(26,21(19)13-20)10-11-28(22)14-17-2-3-17/h6-7,13,17-18,22H,2-5,8-12,14-16H2,1H3,(H,27,29)/t22-,24?,25-,26-/m1/s1
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US Patent
0.300n/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