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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 = 'BDBM12199'   
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)		BDBM12199
PNG
((2S)-N-[(2S,3R)-4-[(4-formamidobenzene)(2-methylpr...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NC=O)cc1 |r|
Show InChI InChI=1S/C34H46N6O6S2/c1-23(2)18-39(48(45,46)29-13-11-27(12-14-29)35-22-41)20-31(42)30(17-26-9-7-6-8-10-26)37-33(43)32(24(3)4)40-16-15-38(34(40)44)19-28-21-47-25(5)36-28/h6-14,21-24,30-32,42H,15-20H2,1-5H3,(H,35,41)(H,37,43)/t30-,31+,32-/m0/s1
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 168n/an/an/an/a4.530



Abbott Laboratories



Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...

Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair