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SMILES: Brc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1

InChI Key: InChIKey=LSMUMXHAQMWLKW-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 = 75420   
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))		BDBM75420
PNG
(4-[5-[(4-bromobenzyl)thio]-4-(2-furfuryl)-1,2,4-tr...)
Show SMILES Brc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C19H15BrN4OS/c20-16-5-3-14(4-6-16)13-26-19-23-22-18(15-7-9-21-10-8-15)24(19)12-17-2-1-11-25-17/h1-11H,12-13H2
PDB

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PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2707ZWP
More data for this
Ligand-Target Pair