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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 = 'BDBM50586118'   
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


(Mus musculus (Mouse))
BDBM50586118
PNG
(CHEMBL5083695)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccco1)ccc3O |r,THB:10:9:6.5.7:17|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586118
PNG
(CHEMBL5083695)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccco1)ccc3O |r,THB:10:9:6.5.7:17|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse kappa opioid receptor expressed in CHO cell membranes assessed as reduction in U50,488H induced [35S]GTPgammaS binding i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair