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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 = 'BDBM50321028'   
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))
BDBM50321028
PNG
((1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-11,15...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(O)CC[C@@]35O[C@H]1C(=O)Nc1ccccc1 |r,THB:26:25:14.15:22.21|
Show InChI InChI=1S/C28H30N2O5/c31-19-9-8-17-14-20-28-11-10-27(33,23(35-28)24(32)29-18-4-2-1-3-5-18)25-26(28,21(17)22(19)34-25)12-13-30(20)15-16-6-7-16/h1-5,8-9,16,20,23,25,31,33H,6-7,10-15H2,(H,29,32)/t20-,23+,25-,26+,27+,28-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.152n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem 18: 4446-52 (2010)


Article DOI: 10.1016/j.bmc.2010.04.069
BindingDB Entry DOI: 10.7270/Q23X87MV
More data for this
Ligand-Target Pair