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SMILES: CCc1c(Sc2ccccc2)n(CC(C)C)c(=O)[nH]c1=O

InChI Key: InChIKey=UBUDUIAJQWFJAY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061696   
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)		BDBM50061696
PNG
(5-Ethyl-1-isobutyl-6-phenylsulfanyl-1H-pyrimidine-...)
Show SMILES CCc1c(Sc2ccccc2)n(CC(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O2S/c1-4-13-14(19)17-16(20)18(10-11(2)3)15(13)21-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
PDB
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 340n/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