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SMILES: COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CC=CC1

InChI Key: InChIKey=JOOFCOJJOMBCNM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184089   
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)		BDBM50184089
PNG
((R,R/S,S)-2-(2,5-dihydro-pyrrol-1-yl)-2aH-7-thia-c...)
Show SMILES COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CC=CC1 |c:24,t:4|
Show InChI InChI=1S/C18H17NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-8,13H,9-10H2,1-2H3
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.10E+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