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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 = 'BDBM50288418'   
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)		BDBM50288418
PNG
(6-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-(2-oxo-1,2,3...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3NC(=O)CNc3c2)C(=O)N(Cc2ccc3NC(=O)CNc3c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C37H38N6O5/c44-33-19-38-29-15-25(11-13-27(29)40-33)21-42-31(17-23-7-3-1-4-8-23)35(46)36(47)32(18-24-9-5-2-6-10-24)43(37(42)48)22-26-12-14-28-30(16-26)39-20-34(45)41-28/h1-16,31-32,35-36,38-39,46-47H,17-22H2,(H,40,44)(H,41,45)/t31-,32-,35+,36+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
 6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against HIV protease

Bioorg Med Chem Lett 6: 2919-2924 (1996)


Article DOI: 10.1016/S0960-894X(96)00531-8
BindingDB Entry DOI: 10.7270/Q2QF8SVC
More data for this
Ligand-Target Pair