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SMILES: Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1C)C(N)=O

InChI Key: InChIKey=UPWFEMHWYOJHSZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183202   
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)		BDBM50183202
PNG
(4-(2-(1-mesityl-1H-tetrazol-5-ylthio)acetamido)-3-...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1C)C(N)=O |(-6.75,-23.61,;-6.42,-22.1,;-7.56,-21.06,;-7.22,-19.56,;-8.36,-18.52,;-5.76,-19.09,;-4.62,-20.12,;-3.15,-19.65,;-4.95,-21.64,;-5.43,-17.58,;-6.46,-16.43,;-5.68,-15.1,;-4.18,-15.42,;-4.03,-16.96,;-2.69,-17.73,;-1.36,-16.96,;-.03,-17.73,;-.03,-19.27,;1.31,-16.97,;2.64,-17.74,;2.63,-19.28,;3.96,-20.05,;5.3,-19.28,;5.3,-17.74,;3.97,-16.97,;3.97,-15.43,;6.64,-20.05,;7.97,-19.28,;6.63,-21.59,)|
Show InChI InChI=1S/C20H22N6O2S/c1-11-7-13(3)18(14(4)8-11)26-20(23-24-25-26)29-10-17(27)22-16-6-5-15(19(21)28)9-12(16)2/h5-9H,10H2,1-4H3,(H2,21,28)(H,22,27)
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MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 55n/an/an/an/an/an/a



MRL Rome

Curated by ChEMBL


Assay Description
Inhibition of HIV1 wild type Reverse Transcriptase

Bioorg Med Chem Lett 16: 2748-52 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.024
BindingDB Entry DOI: 10.7270/Q2D79B1R
More data for this
Ligand-Target Pair