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SMILES: Cc1c(CCOC(=O)c2ccccc2)sc[n+]1CC(=O)c1ccc(Br)cc1

InChI Key: InChIKey=RYFMZKGLZNJNBB-UHFFFAOYSA-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 = 83419   
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))		BDBM83419
PNG
(2-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-m...)
Show SMILES Cc1c(CCOC(=O)c2ccccc2)sc[n+]1CC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H19BrNO3S/c1-15-20(11-12-26-21(25)17-5-3-2-4-6-17)27-14-23(15)13-19(24)16-7-9-18(22)10-8-16/h2-10,14H,11-13H2,1H3/q+1
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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