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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50142981'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50142981
PNG
(CHEMBL46967 | Quinoline-8-sulfonic acid [(S)-2-(R)...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C35H48N4O6S/c1-24(2)18-20-39(46(43,44)31-12-8-10-27-11-9-19-36-34(27)31)23-30(40)29-22-26-14-16-28(17-15-26)45-21-7-5-6-13-32(41)38-33(25(3)4)35(42)37-29/h8-12,14-17,19,24-25,29-30,33,40H,5-7,13,18,20-23H2,1-4H3,(H,37,42)(H,38,41)/t29-,30+,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 295n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay

J Med Chem 47: 1641-51 (2004)


Article DOI: 10.1021/jm030337m
BindingDB Entry DOI: 10.7270/Q2JD4XJK
More data for this
Ligand-Target Pair