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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 = 'BDBM50216138'   
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))		BDBM50216138
PNG
(CHEMBL227104 | methyl (1S,2R,7R,10R,11R,13S)-13-(a...)
Show SMILES CO[C@H]1O[C@@H](OC)[C@](O)([C@@H]1OC(C)=O)C1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1
Show InChI InChI=1S/C27H38O13/c1-12(28)37-16-10-15(21(31)34-5)25(3)9-8-14-22(32)39-17(11-26(14,4)19(25)18(16)30)27(33)20(38-13(2)29)23(35-6)40-24(27)36-7/h14-17,19-20,23-24,33H,8-11H2,1-7H3/t14-,15-,16-,17?,19-,20+,23-,24+,25-,26-,27+/m0/s1
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Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells

J Med Chem 50: 3596-603 (2007)


Article DOI: 10.1021/jm070393d
BindingDB Entry DOI: 10.7270/Q2ZK5HH0
More data for this
Ligand-Target Pair