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BDBM50037830 (2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid [3-((R)-4-tert-butylcarbamoyl-thiazolidin-3-yl)-2-hydroxy-propyl]-amide::CHEMBL331645

SMILES: CC(C)(C)NC(=O)[C@@H]1CSCN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=LGOIPFJTVRLGQS-LAEBXMRJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037830   
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)
BDBM50037830
PNG
((2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CSCN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H48N6O5S2/c1-33(2,3)39-29(43)25-20-46-21-40(25)19-24(41)18-36-31(45)28-34(4,5)47-32(38-28)27(30(44)35-17-23-14-10-7-11-15-23)37-26(42)16-22-12-8-6-9-13-22/h6-15,24-25,27-28,32,38,41H,16-21H2,1-5H3,(H,35,44)(H,36,45)(H,37,42)(H,39,43)/t24?,25-,27?,28-,32+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Glaxo Research and Development Limited

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against HIV proteinase


J Med Chem 37: 3707-16 (1994)


Article DOI: 10.1021/jm00048a007
BindingDB Entry DOI: 10.7270/Q2V40T88
More data for this
Ligand-Target Pair