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SMILES: Cc1c(oc2cc(C)ccc12)C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1

InChI Key: InChIKey=DVEIXFGISKQTHR-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83298   
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))		BDBM83298
PNG
(MLS000534974 | N-(1,1-diketothiolan-3-yl)-3,6-dime...)
Show SMILES Cc1c(oc2cc(C)ccc12)C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
Show InChI InChI=1S/C20H21NO4S2/c1-13-5-6-17-14(2)19(25-18(17)10-13)20(22)21(11-16-4-3-8-26-16)15-7-9-27(23,24)12-15/h3-6,8,10,15H,7,9,11-12H2,1-2H3
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Similars
PCBioAssay
n/an/an/an/a 6.36E+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