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BDBM9197 (2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-({4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl}methyl)pentanamide::pyrrolidinone based inhibitor 1o

SMILES: CN1CCN(CC1)C(=O)COc1ccc(C[C@H](C[C@H](O)CN2[C@@H](Cc3ccccc3)C[C@H](Cc3ccccc3)C2=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=NPVKOSZGOVMKLI-FZDXWARQSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9197   
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)
BDBM9197
PNG
((2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-...)
Show SMILES CN1CCN(CC1)C(=O)COc1ccc(C[C@H](C[C@H](O)CN2[C@@H](Cc3ccccc3)C[C@H](Cc3ccccc3)C2=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
Show InChI InChI=1S/C46H54N4O6/c1-48-20-22-49(23-21-48)43(53)31-56-40-18-16-34(17-19-40)24-36(45(54)47-44-41-15-9-8-14-35(41)29-42(44)52)28-39(51)30-50-38(26-33-12-6-3-7-13-33)27-37(46(50)55)25-32-10-4-2-5-11-32/h2-19,36-39,42,44,51-52H,20-31H2,1H3,(H,47,54)/t36-,37+,38+,39+,42-,44+/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0500 -14.0 130n/an/an/an/a6.425



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: 81-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.029
BindingDB Entry DOI: 10.7270/Q29G5K1M
More data for this
Ligand-Target Pair