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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50303849'   
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))
BDBM50303849
PNG
((+)-cis-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7aa...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14+,16+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303849
PNG
((+)-cis-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7aa...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14+,16+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair