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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 = 'BDBM50189160'   
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))		BDBM50189160
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b...)
Show SMILES CNC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H29NO7/c1-12(25)30-16-9-15(20(27)24-4)22(2)7-5-14-21(28)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)26/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3,(H,24,27)/t14-,15+,16+,17+,19+,22+,23+/m1/s1
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Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells

Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
BindingDB Entry DOI: 10.7270/Q2GX4B55
More data for this
Ligand-Target Pair