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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 = 'BDBM50326661'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50326661
PNG
(CHEMBL1254018 | CHEMBL1254291)
Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
43.2n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326661
PNG
(CHEMBL1254018 | CHEMBL1254291)
Show SMILES Oc1ccc(O)c2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C=O |r|
Show InChI InChI=1S/C17H19NO4/c19-9-18-6-5-17-8-10(20)1-2-12(17)13(18)7-11-14(21)3-4-15(22)16(11)17/h3-4,9,12-13,21-22H,1-2,5-8H2/t12-,13+,17-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
328n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair