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SMILES: OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](Cc2c[nH]c3ccccc23)NC1=O

InChI Key: InChIKey=HRLWGJCFIVNEJR-UEPPOXAYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83445   
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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM83445
PNG
(9H-fluoren-9-ylmethyl N-[(3R,6R,8Z,11S)-6-[2-[2-hy...)
Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](Cc2c[nH]c3ccccc23)NC1=O |c:17|
Show InChI InChI=1S/C45H46N4O7/c50-23-22-49(27-30-12-2-1-3-13-30)42(51)25-31-14-4-10-21-41(44(53)55-28-33(47-43(31)52)24-32-26-46-40-20-11-9-15-34(32)40)48-45(54)56-29-39-37-18-7-5-16-35(37)36-17-6-8-19-38(36)39/h1-13,15-20,26,31,33,39,41,46,50H,14,21-25,27-29H2,(H,47,52)(H,48,54)/b10-4-/t31-,33-,41+/m1/s1
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Similars
PCBioAssay
n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair