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BDBM50183204 CHEMBL208057::N-(2-methyl-4-sulfamoyl-phenyl)-2-[1-(2,4,6-trimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide

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

InChI Key: InChIKey=NZCOTRJLQYBXMH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183204   
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)
BDBM50183204
PNG
(CHEMBL208057 | N-(2-methyl-4-sulfamoyl-phenyl)-2-[...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1C)S(N)(=O)=O |(-6.98,-13.11,;-6.65,-11.6,;-7.79,-10.56,;-7.46,-9.06,;-8.59,-8.02,;-5.99,-8.59,;-4.85,-9.62,;-3.39,-9.15,;-5.18,-11.14,;-5.67,-7.08,;-6.69,-5.93,;-5.92,-4.6,;-4.41,-4.92,;-4.26,-6.46,;-2.93,-7.23,;-1.59,-6.46,;-.26,-7.23,;-.26,-8.77,;1.08,-6.47,;2.41,-7.24,;2.4,-8.78,;3.73,-9.55,;5.07,-8.78,;5.07,-7.24,;3.73,-6.47,;3.73,-4.93,;6.4,-9.55,;7.73,-10.32,;5.63,-10.89,;7.18,-8.22,)|
Show InChI InChI=1S/C19H22N6O3S2/c1-11-7-13(3)18(14(4)8-11)25-19(22-23-24-25)29-10-17(26)21-16-6-5-15(9-12(16)2)30(20,27)28/h5-9H,10H2,1-4H3,(H,21,26)(H2,20,27,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/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