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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 = 'BDBM50285696'   
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)		BDBM50285696
PNG
(Anthranilamide derivative | CHEMBL85640)
Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1
Show InChI InChI=1S/C48H46N4O7/c53-44(43(30-35-19-7-2-8-20-35)50-46(55)40-26-14-16-28-42(40)52-48(57)59-33-37-23-11-4-12-24-37)31-38(29-34-17-5-1-6-18-34)49-45(54)39-25-13-15-27-41(39)51-47(56)58-32-36-21-9-3-10-22-36/h1-28,38,43-44,53H,29-33H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t38-,43-,44-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate

Bioorg Med Chem Lett 5: 2557-2562 (1995)


Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT
More data for this
Ligand-Target Pair