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SMILES: CC(=O)O[C@H]1C[C@@H](C(=O)OCCCC#C)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=LICPHDKHCZLRDM-QTEOLWBNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171174   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171174
PNG
((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)OCCCC#C)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C27H32O8/c1-5-6-7-11-33-24(30)19-13-20(34-16(2)28)22(29)23-26(19,3)10-8-18-25(31)35-21(14-27(18,23)4)17-9-12-32-15-17/h1,9,12,15,18-21,23H,6-8,10-11,13-14H2,2-4H3/t18-,19+,20+,21+,23+,26+,27+/m1/s1
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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