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BDBM50037840 (S)-1-[(R)-3-({(2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carbonyl}-amino)-2-hydroxy-propyl]-piperidine-2-carboxylic acid tert-butylamide::CHEMBL123243

SMILES: CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=XASVNPBDYWQQOB-VBPLIROTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037840   
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)		BDBM50037840
PNG
((S)-1-[(R)-3-({(2R,4S)-2-[Benzylcarbamoyl-((S)-phe...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H52N6O5S/c1-35(2,3)41-31(45)27-18-12-13-19-42(27)23-26(43)22-38-33(47)30-36(4,5)48-34(40-30)29(32(46)37-21-25-16-10-7-11-17-25)39-28(44)20-24-14-8-6-9-15-24/h6-11,14-17,26-27,29-30,34,40,43H,12-13,18-23H2,1-5H3,(H,37,46)(H,38,47)(H,39,44)(H,41,45)/t26-,27+,29?,30+,34-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>2.20E+3n/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)


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