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BDBM50037839 (2R,4S)-2-[Ethylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid {3-[((S)-1-tert-butylcarbamoyl-2-cyclohexyl-ethyl)-methyl-amino]-2-hydroxy-propyl}-amide::CHEMBL333259

SMILES: CCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCC(O)CN(C)[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1

InChI Key: InChIKey=RAXCJRXVBGOJSL-JBXOPXORSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037839   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50037839
PNG
((2R,4S)-2-[Ethylcarbamoyl-((S)-phenylacetylamino)-...)
Show SMILES CCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCC(O)CN(C)[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1
Show InChI InChI=1S/C35H58N6O5S/c1-8-36-31(45)28(38-27(43)20-24-17-13-10-14-18-24)33-39-29(35(5,6)47-33)32(46)37-21-25(42)22-41(7)26(30(44)40-34(2,3)4)19-23-15-11-9-12-16-23/h10,13-14,17-18,23,25-26,28-29,33,39,42H,8-9,11-12,15-16,19-22H2,1-7H3,(H,36,45)(H,37,46)(H,38,43)(H,40,44)/t25?,26-,28?,29-,33+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 710n/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