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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 = 'BDBM530'   
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)		BDBM530
PNG
((2S,3S)-2-methyl-1,1-dioxo--thiolan-3-yl N-[(2S,3R...)
Show SMILES [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C30H47N3O6S/c1-20-27(14-15-40(20,37)38)39-29(36)31-24(16-21-10-6-5-7-11-21)26(34)19-33-18-23-13-9-8-12-22(23)17-25(33)28(35)32-30(2,3)4/h5-7,10-11,20,22-27,34H,8-9,12-19H2,1-4H3,(H,31,36)(H,32,35)/t20-,22-,23+,24-,25-,26+,27-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11.4n/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