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BDBM1258 L-682, 679 analog 17::tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{[(S)-carbamoyl(phenyl)methyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1

InChI Key: InChIKey=ZWFXDTZPQGCUFZ-UNFRKHOWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1258   
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)
BDBM1258
PNG
(L-682, 679 analog 17 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1
Show InChI InChI=1S/C32H39N3O5/c1-32(2,3)40-31(39)34-26(20-23-15-9-5-10-16-23)27(36)21-25(19-22-13-7-4-8-14-22)30(38)35-28(29(33)37)24-17-11-6-12-18-24/h4-18,25-28,36H,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,38)/t25-,26+,27+,28+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.900n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 34: 2852-7 (1991)


Article DOI: 10.1021/jm00113a025
BindingDB Entry DOI: 10.7270/Q2M906TJ
More data for this
Ligand-Target Pair