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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 = 'BDBM523'   
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)		BDBM523
PNG
((3R)-thiolan-3-yl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(te...)
Show SMILES [H][C@]1(CCSC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H45N3O4S/c1-29(2,3)31-27(34)25-16-21-11-7-8-12-22(21)17-32(25)18-26(33)24(15-20-9-5-4-6-10-20)30-28(35)36-23-13-14-37-19-23/h4-6,9-10,21-26,33H,7-8,11-19H2,1-3H3,(H,30,35)(H,31,34)/t21-,22+,23+,24-,25-,26+/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 220n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
The IC50 values for the compounds were determined using purified HIV-1 Protease. Inhibition of the cleavage of the peptide H-Val-Ser-Gln-Asn-(L-beta-...

J Med Chem 37: 1177-88 (1994)


Article DOI: 10.1021/jm00034a016
BindingDB Entry DOI: 10.7270/Q2NG4NS1
More data for this
Ligand-Target Pair