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SMILES: COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CCCCC1

InChI Key: InChIKey=LKDSIRXDWPTAGQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184081   
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)		BDBM50184081
PNG
((R,R/S,S)-2-piperidin-1-yl-2aH-7-thia-cyclobuta[a]...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CCCCC1 |t:4|
Show InChI InChI=1S/C19H21NO4S/c1-23-17(21)15-16(20-10-6-3-7-11-20)14-12-8-4-5-9-13(12)25-19(14,15)18(22)24-2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3
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Similars
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 reverse transcriptase in 293T cells

Bioorg Med Chem Lett 16: 3034-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.049
BindingDB Entry DOI: 10.7270/Q2DN45VP
More data for this
Ligand-Target Pair