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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 = 'BDBM50025234'   
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))
BDBM50025234
PNG
(CHEMBL3330664)
Show SMILES [H][C@@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@]3([H])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6]2=O)-c1ccoc1)-[#6](=O)-[#8]-[#6] |r|
Show InChI InChI=1S/C26H32O8/c1-14(2)10-20(27)33-18-11-17(23(29)31-5)25(3)8-6-16-24(30)34-19(15-7-9-32-13-15)12-26(16,4)22(25)21(18)28/h7,9-10,13,16-19,22H,6,8,11-12H2,1-5H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
385n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50025234
PNG
(CHEMBL3330664)
Show SMILES [H][C@@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@]3([H])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6]2=O)-c1ccoc1)-[#6](=O)-[#8]-[#6] |r|
Show InChI InChI=1S/C26H32O8/c1-14(2)10-20(27)33-18-11-17(23(29)31-5)25(3)8-6-16-24(30)34-19(15-7-9-32-13-15)12-26(16,4)22(25)21(18)28/h7,9-10,13,16-19,22H,6,8,11-12H2,1-5H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 698n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human kappa opioid receptor expressed in HEK293T cells assessed as inhibition of cAMP production after 30 mins


Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair