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SMILES: CCOC(=O)C1=C([C@H]2c3ccccc3S[C@@]12C(=O)OCC)N1CCCC1

InChI Key: InChIKey=DOTGVUGSQYURGA-FOIQADDNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184097   
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)		BDBM50184097
PNG
((2aR,7aR)-2-Pyrrolidin-1-yl-2aH-7-thia-cyclobuta[a...)
Show SMILES CCOC(=O)C1=C([C@H]2c3ccccc3S[C@@]12C(=O)OCC)N1CCCC1 |t:5|
Show InChI InChI=1S/C20H23NO4S/c1-3-24-18(22)16-17(21-11-7-8-12-21)15-13-9-5-6-10-14(13)26-20(15,16)19(23)25-4-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3/t15-,20-/m1/s1
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Similars
Article
PubMed
n/an/a>2.00E+4n/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