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BDBM189356 N-(2-Bromo-4-sulfonamido-phenyl)-2-(1-(4-cyclopropylnaphthalen-1-yl)-1H-imidazo[4,5-b]pyridin-2-ylthio)acetamide (12)

SMILES: NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ncccc3n2-c2ccc(C3CC3)c3ccccc23)c(Br)c1

InChI Key: InChIKey=UYICIPZAOILGFL-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 189356   
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
Gag-Pol polyprotein (Capsid Protein)


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM189356
PNG
(N-(2-Bromo-4-sulfonamido-phenyl)-2-(1-(4-cycloprop...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ncccc3n2-c2ccc(C3CC3)c3ccccc23)c(Br)c1 |(10,-.03,;8.67,.74,;9.44,2.07,;7.9,-.59,;7.34,1.51,;6,.74,;4.67,1.51,;4.67,3.05,;3.34,3.82,;2,3.05,;2,1.51,;.67,3.82,;-.67,3.05,;-2,3.82,;-2.48,5.28,;-4.02,5.28,;-5.05,6.43,;-6.55,6.11,;-7.03,4.64,;-6,3.5,;-4.49,3.82,;-3.25,2.91,;-3.25,1.37,;-4.58,.6,;-4.58,-.94,;-3.25,-1.71,;-3.25,-3.25,;-4.02,-4.58,;-2.48,-4.58,;-1.91,-.94,;-.58,-1.71,;.76,-.94,;.76,.6,;-.58,1.37,;-1.91,.6,;6,3.82,;6,5.36,;7.34,3.05,)|
Show InChI InChI=1S/C27H22BrN5O3S2/c28-21-14-17(38(29,35)36)9-11-22(21)31-25(34)15-37-27-32-26-24(6-3-13-30-26)33(27)23-12-10-18(16-7-8-16)19-4-1-2-5-20(19)23/h1-6,9-14,16H,7-8,15H2,(H,31,34)(H2,29,35,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/a37



Shandong University



Assay Description
A reverse transcriptase (RT) assay kit produced by Roche was selected for the RT inhibition assay. All the reagents for performing the RT reaction ...

Chem Biol Drug Des 88: 241-53 (2016)


Article DOI: 10.1111/cbdd.12751
BindingDB Entry DOI: 10.7270/Q2X065VJ
More data for this
Ligand-Target Pair