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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 = 'BDBM343'   
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)		BDBM343
PNG
((3R,4S,5S,6R)-2,7-bis[(3-acetylphenyl)methyl]-4,5-...)
Show SMILES CC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(C)=O)S2(=O)=O)c1 |r|
Show InChI InChI=1S/C36H38N2O8S/c1-25(39)29-13-9-11-27(19-29)21-37-33(23-45-31-15-5-3-6-16-31)35(41)36(42)34(24-46-32-17-7-4-8-18-32)38(47(37,43)44)22-28-12-10-14-30(20-28)26(2)40/h3-20,33-36,41-42H,21-24H2,1-2H3/t33-,34-,35+,36+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
PubMed
 59n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Protease expressed in Escherichia coli

J Med Chem 42: 4054-61 (1999)


BindingDB Entry DOI: 10.7270/Q2C53K2T
More data for this
Ligand-Target Pair