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BDBM96424 5-(butylcarbamoyl)-3-(naphthalen-1-ylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid::5-(butylcarbamoyl)-3-[(1-naphthylthio)methyl]isoxazole-4-carboxylic acid::5-[butylamino(oxo)methyl]-3-[(1-naphthalenylthio)methyl]-4-isoxazolecarboxylic acid::MLS000560757::SMR000155771::cid_11958668

SMILES: CCCCNC(=O)c1onc(CSc2cccc3ccccc23)c1C(O)=O

InChI Key: InChIKey=UBECOFGYMGFXNF-UHFFFAOYSA-N

Data: 1 IC50

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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 = 96424   
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
Huntingtin


(Homo sapiens (Human))		BDBM96424
PNG
(5-(butylcarbamoyl)-3-(naphthalen-1-ylsulfanylmethy...)
Show SMILES CCCCNC(=O)c1onc(CSc2cccc3ccccc23)c1C(O)=O
Show InChI InChI=1S/C20H20N2O4S/c1-2-3-11-21-19(23)18-17(20(24)25)15(22-26-18)12-27-16-10-6-8-13-7-4-5-9-14(13)16/h4-10H,2-3,11-12H2,1H3,(H,21,23)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair