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SMILES: C[C@@H](NCCCn1cnc(n1)C(=O)Nc1ccc(C)c(C)c1)c1cccc2ccccc12

InChI Key: InChIKey=UVZFUWVYPXPUBZ-HXUWFJFHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83459   
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))
BDBM83459
PNG
(MLS002724420 | N-(3,4-dimethylphenyl)-1-[3-[[(1R)-...)
Show SMILES C[C@@H](NCCCn1cnc(n1)C(=O)Nc1ccc(C)c(C)c1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N5O/c1-18-12-13-22(16-19(18)2)29-26(32)25-28-17-31(30-25)15-7-14-27-20(3)23-11-6-9-21-8-4-5-10-24(21)23/h4-6,8-13,16-17,20,27H,7,14-15H2,1-3H3,(H,29,32)/t20-/m1/s1
PDB

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Similars

PCBioAssay
n/an/an/an/a>9.24E+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