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BDBM1263 L-682, 679 analog 22::tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{[(1S)-1-carbamoyl-2-(1H-indol-2-yl)ethyl]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](Cc1cc2ccccc2[nH]1)C(N)=O

InChI Key: InChIKey=PNVCFXPLGXQKBQ-DEGSFCBCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1263   
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)
BDBM1263
PNG
(L-682, 679 analog 22 | 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](Cc1cc2ccccc2[nH]1)C(N)=O
Show InChI InChI=1S/C35H42N4O5/c1-35(2,3)44-34(43)39-29(19-24-14-8-5-9-15-24)31(40)21-26(18-23-12-6-4-7-13-23)33(42)38-30(32(36)41)22-27-20-25-16-10-11-17-28(25)37-27/h4-17,20,26,29-31,37,40H,18-19,21-22H2,1-3H3,(H2,36,41)(H,38,42)(H,39,43)/t26-,29+,30+,31+/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/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