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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 = 'BDBM50037486'   
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))
BDBM50037486
PNG
((6S,11S)-6,11-Dimethyl-3-nonyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCCCCCCN1CC[C@@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
Show InChI InChI=1S/C23H37NO/c1-4-5-6-7-8-9-10-14-24-15-13-23(3)18(2)22(24)16-19-11-12-20(25)17-21(19)23/h11-12,17-18,22,25H,4-10,13-16H2,1-3H3/t18-,22?,23+/m1/s1
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Similars

PubMed
2.27E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition against kappa receptor from displacement studies using 1.5 nM [3H]U-69593 in rhesus monkey cortex membrane


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair