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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM9621'   
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM9621
PNG
((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...)
Show SMILES CC(=O)N[C@H](CS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C32H39N3O6S/c1-22(36)33-28(21-42(40,41)25-16-9-6-10-17-25)31(39)34-27(19-23-13-7-5-8-14-23)29(37)20-24-15-11-12-18-26(24)30(38)35-32(2,3)4/h5-18,27-29,37H,19-21H2,1-4H3,(H,33,36)(H,34,39)(H,35,38)/t27-,28+,29+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...

J Med Chem 39: 96-108 (1996)


Article DOI: 10.1021/jm950576c
BindingDB Entry DOI: 10.7270/Q23R0R3K
More data for this
Ligand-Target Pair