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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 = 'BDBM50048107'   
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))		BDBM50048107
PNG
(CHEMBL3309511)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](C)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H34N2O4/c1-18-13-22-15-31(36)24-14-21-9-10-23(34)27-25(21)30(31,11-12-32(24)16-20-7-8-20)28(37-27)26(22)33(29(18)35)17-19-5-3-2-4-6-19/h2-6,9-10,18,20,24,28,34,36H,7-8,11-17H2,1H3/t18-,24-,28+,30+,31-/m1/s1
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Article
PubMed
 0.950n/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