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BDBM50288944 2-{[(2R,3R)-3-((S)-1-Benzyloxycarbonylamino-2-phenyl-ethyl)-oxiranecarbonyl]-amino}-3-methyl-butyric acid::CHEMBL440364

SMILES: CC(C)C(NC(=O)[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O

InChI Key: InChIKey=CWDRFKNQJRTHQB-AJQVQDMVSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288944   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288944
PNG
(2-{[(2R,3R)-3-((S)-1-Benzyloxycarbonylamino-2-phen...)
Show SMILES CC(C)C(NC(=O)[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H28N2O6/c1-15(2)19(23(28)29)26-22(27)21-20(32-21)18(13-16-9-5-3-6-10-16)25-24(30)31-14-17-11-7-4-8-12-17/h3-12,15,18-21H,13-14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t18-,19?,20+,21+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
>1.00E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease was determined


Bioorg Med Chem Lett 6: 589-594 (1996)


Article DOI: 10.1016/0960-894X(96)00087-X
BindingDB Entry DOI: 10.7270/Q2FQ9WM4
More data for this
Ligand-Target Pair