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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 = 'BDBM480'   
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)		BDBM480
PNG
((Hydroxyethyl)urea Isostere deriv. 8 | benzyl N-[(...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)C |r|
Show InChI InChI=1S/C30H43N5O6/c1-20(2)17-35(29(39)32-21(3)4)18-26(36)24(15-22-11-7-5-8-12-22)33-28(38)25(16-27(31)37)34-30(40)41-19-23-13-9-6-10-14-23/h5-14,20-21,24-26,36H,15-19H2,1-4H3,(H2,31,37)(H,32,39)(H,33,38)(H,34,40)/t24-,25-,26+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 260n/an/an/an/a6.425



Monsanto Corporate Research



Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...

J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair