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BDBM1281 L-682, 679 analog 40::tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{[(S)-{[3-(dimethylamino)propyl]carbamoyl}(phenyl)methyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate

SMILES: CN(C)CCCNC(=O)[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=OTIFGJHFDLHKIS-GJBCSVNNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1281   
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)
BDBM1281
PNG
(L-682, 679 analog 40 | tert-butyl N-[(2S,3S,5R)-5-...)
Show SMILES CN(C)CCCNC(=O)[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H50N4O5/c1-37(2,3)46-36(45)39-31(25-28-18-11-7-12-19-28)32(42)26-30(24-27-16-9-6-10-17-27)34(43)40-33(29-20-13-8-14-21-29)35(44)38-22-15-23-41(4)5/h6-14,16-21,30-33,42H,15,22-26H2,1-5H3,(H,38,44)(H,39,45)(H,40,43)/t30-,31+,32+,33+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/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