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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 = 'BDBM50106351'   
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))
BDBM50106351
PNG
(CHEMBL3596370)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14|
Show InChI InChI=1/C25H23FN2O3.ClH/c26-8-10-28-9-7-24-20-15-5-6-18(29)22(20)31-23(24)21-16(13-25(24,30)19(28)12-15)11-14-3-1-2-4-17(14)27-21;/h1-6,11,19,23,29-30H,7-10,12-13H2;1H/t19-,23+,24+,25-;/s2
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PC cid
PC sid
UniChem
PubMed
854n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)


BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair