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BDBM12201 (2S)-N-[(2S,3R)-4-[(4-acetamidobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide::benzenesulfonamide analog 11

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1

InChI Key: InChIKey=YEVSHOXETFGJQT-DSPMFFIESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12201   
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)
BDBM12201
PNG
((2S)-N-[(2S,3R)-4-[(4-acetamidobenzene)(2-methylpr...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C35H48N6O6S2/c1-23(2)19-40(49(46,47)30-14-12-28(13-15-30)36-25(5)42)21-32(43)31(18-27-10-8-7-9-11-27)38-34(44)33(24(3)4)41-17-16-39(35(41)45)20-29-22-48-26(6)37-29/h7-15,22-24,31-33,43H,16-21H2,1-6H3,(H,36,42)(H,38,44)/t31-,32+,33-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 312n/an/an/an/a4.530



Abbott Laboratories



Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair