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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 = 'BDBM50171167'   
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))		BDBM50171167
PNG
(1-((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C34H39NO9/c1-20(36)43-26-16-24(30(38)35-14-7-10-25(35)32(40)42-18-21-8-5-4-6-9-21)33(2)13-11-23-31(39)44-27(22-12-15-41-19-22)17-34(23,3)29(33)28(26)37/h4-6,8-9,12,15,19,23-27,29H,7,10-11,13-14,16-18H2,1-3H3/t23-,24+,25?,26+,27+,29+,33+,34+/m1/s1
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Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair