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

InChI Key: InChIKey=CUKAUEXJVJXEDL-YQYWCZHNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000810   
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)		BDBM50000810
PNG
(CHEMBL299659)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H45N3O7/c1-27(2)34(42-39(47)49-26-31-21-13-6-14-22-31)37(45)40-32(23-28-15-7-3-8-16-28)35(43)36(44)33(24-29-17-9-4-10-18-29)41-38(46)48-25-30-19-11-5-12-20-30/h3-22,27,32-36,43-44H,23-26H2,1-2H3,(H,40,45)(H,41,46)(H,42,47)/t32-,33-,34-,35+,36+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars
PubMed
 0.220n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease

J Med Chem 37: 1769-78 (1994)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair