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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 = 'BDBM50169780'   
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))
BDBM50169780
PNG
((3S,4aR,6S,8R,8aR,10aR)-6-Cyclopropanecarbonyloxy-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C2CC2)C(=O)C2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H30O8/c1-24-8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,2)20(24)19(26)17(10-16(24)22(28)30-3)32-21(27)13-4-5-13/h7,9,12-13,15-18,20H,4-6,8,10-11H2,1-3H3/t15-,16-,17-,18-,20?,24-,25-/m0/s1
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Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonistic activity against human k-opioid receptor using [3H]diprenorphine


Bioorg Med Chem Lett 15: 3744-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.048
BindingDB Entry DOI: 10.7270/Q2MS3THX
More data for this
Ligand-Target Pair