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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 = 'BDBM50166717'   
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))		BDBM50166717
PNG
((3S,4aR,6R,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-6-m...)
Show SMILES CN[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
Show InChI InChI=1S/C22H29NO6/c1-21-7-5-13-20(26)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(24)15(23-3)9-14(21)19(25)27-4/h6,8,11,13-16,18,23H,5,7,9-10H2,1-4H3/t13?,14-,15+,16-,18?,21-,22-/m0/s1
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Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells

Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair