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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 = 'BDBM50001716'   
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))
BDBM50001716
PNG
(CHEMBL140044 | methyl 2-[4-cyclopropylmethyl-14,17...)
Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](O)CC[C@@]35O
Show InChI InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-6-5-16-11-19-25(29)8-7-17(27)22-24(25,20(16)21(18)32-22)9-10-26(19)12-15-3-4-15/h5-6,15,17,19,22,27,29H,1,3-4,7-13H2,2H3/t17-,19-,22+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane


J Med Chem 35: 4589-94 (1993)


Article DOI: 10.1021/jm00102a012
BindingDB Entry DOI: 10.7270/Q27S7PCK
More data for this
Ligand-Target Pair