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SMILES: COC(=O)CCC\C=C(/c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(Cl)ccc1OC

InChI Key: InChIKey=WVDFUUVBXHPJPC-QGMBQPNBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173815   
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)		BDBM50173815
PNG
(5-[(E)-1-(5-Chloro-2-methoxy-phenyl)-5-methoxycarb...)
Show SMILES COC(=O)CCC\C=C(/c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(Cl)ccc1OC
Show InChI InChI=1S/C24H27ClO6/c1-15-12-16(13-20(23(15)30-4)24(27)31-5)18(8-6-7-9-22(26)29-3)19-14-17(25)10-11-21(19)28-2/h8,10-14H,6-7,9H2,1-5H3/b18-8+
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase activity

J Med Chem 48: 6140-55 (2005)


Article DOI: 10.1021/jm050452s
BindingDB Entry DOI: 10.7270/Q2TB16F6
More data for this
Ligand-Target Pair