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BDBM9161 N-alkoxysulfonamide analog 1::N-alkoxysulfonamide analog entry a::tert-butyl N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(propan-2-yloxy)sulfonamido]-1-phenylbutan-2-yl]carbamate

SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC(C)C

InChI Key: InChIKey=HPMPARPJICICTB-VUEPYQETNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9161   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9161
PNG
(N-alkoxysulfonamide analog 1 | N-alkoxysulfonamide...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC(C)C
Show InChI InChI=1/C25H36N2O7S/c1-18(2)34-27(35(30,31)21-14-12-20(32-6)13-15-21)17-23(28)22(16-19-10-8-7-9-11-19)26-24(29)33-25(3,4)5/h7-15,18,22-23,28H,16-17H2,1-6H3,(H,26,29)/t22-,23+/s2
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PC sid
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Similars

Article
PubMed
14 -10.7n/an/an/an/an/a6.825



GlaxoSmithKline



Assay Description
The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...


Bioorg Med Chem Lett 15: 3560-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.101
BindingDB Entry DOI: 10.7270/Q2F769SC
More data for this
Ligand-Target Pair