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SMILES: CC(=O)c1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1

InChI Key: InChIKey=KMERLRPVDCNMIX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008319   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50008319
PNG
(6-(3-Acetyl-phenylsulfanyl)-1-(2-hydroxy-ethoxymet...)
Show SMILES CC(=O)c1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1
Show InChI InChI=1S/C16H18N2O5S/c1-10-14(21)17-16(22)18(9-23-7-6-19)15(10)24-13-5-3-4-12(8-13)11(2)20/h3-5,8,19H,6-7,9H2,1-2H3,(H,17,21,22)
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Article
PubMed
n/an/an/an/a 7.30E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase

J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair