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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 = 'BDBM50048109'   
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))		BDBM50048109
PNG
(CHEMBL3309513)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25-,29+,31+,32-/m1/s1
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Similars
Article
PubMed
 1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...

Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
BindingDB Entry DOI: 10.7270/Q2JM2C8P
More data for this
Ligand-Target Pair