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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 = 'BDBM50207826'   
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))
BDBM50207826
PNG
(CHEMBL393867 | H-mCpa-ser-Gly-Phe-Leu-Thr-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C34H47N7O10/c1-18(2)12-24(33(49)41-28(19(3)43)34(50)51)39-32(48)25(15-20-8-5-4-6-9-20)38-27(44)16-37-31(47)26(17-42)40-30(46)23(35)14-21-10-7-11-22(13-21)29(36)45/h4-11,13,18-19,23-26,28,42-43H,12,14-17,35H2,1-3H3,(H2,36,45)(H,37,47)(H,38,44)(H,39,48)(H,40,46)(H,41,49)(H,50,51)/t19-,23+,24+,25+,26+,28+/m1/s1
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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair