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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 = 'BDBM9622'   
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)		BDBM9622
PNG
((S)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)amino]car...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSCc1ccccc1)NS(C)(=O)=O |r|
Show InChI InChI=1S/C32H41N3O5S2/c1-32(2,3)34-30(37)26-18-12-11-17-25(26)20-29(36)27(19-23-13-7-5-8-14-23)33-31(38)28(35-42(4,39)40)22-41-21-24-15-9-6-10-16-24/h5-18,27-29,35-36H,19-22H2,1-4H3,(H,33,38)(H,34,37)/t27-,28+,29+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14.7n/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