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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM299'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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)		BDBM299
PNG
((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCC1 |r|
Show InChI InChI=1S/C31H50N4O6S/c1-21(2)28-27(14-17-42(28,39)40)41-30(38)32-24(18-22-10-7-6-8-11-22)26(36)20-35-16-15-34(23-12-9-13-23)19-25(35)29(37)33-31(3,4)5/h6-8,10-11,21,23-28,36H,9,12-20H2,1-5H3,(H,32,38)(H,33,37)/t24-,25-,26+,27+,28+/m0/s1
PDB
MMDB

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PC cid
PC sid
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Patents

Similars
n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Tested in vitro for the ability to inhibit HIV-1 protease at pH 7.4

Bioorg Med Chem Lett 5: 2707-12 (1995)


BindingDB Entry DOI: 10.7270/Q22N50FH
More data for this
Ligand-Target Pair