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SMILES: CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2ccco2)c(=O)[nH]c1=O

InChI Key: InChIKey=GESGCEHJZAKZDK-FNORWQNLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058323   
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)		BDBM50058323
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-1-((E)-3-f...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(C\C=C\c2ccco2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O3S/c1-4-18-19(24)22-21(25)23(9-5-7-16-8-6-10-26-16)20(18)27-17-12-14(2)11-15(3)13-17/h5-8,10-13H,4,9H2,1-3H3,(H,22,24,25)/b7-5+
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PC cid
PC sid
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Similars
Article
PubMed
n/an/an/an/a 40n/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