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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 = 'BDBM50288816'   
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)		BDBM50288816
PNG
(CHEMBL140653 | N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H33F3N2O5S/c1-20(2)18-34(40(37,38)23-15-13-22(39-3)14-16-23)19-27(35)26(17-21-9-5-4-6-10-21)33-28(36)24-11-7-8-12-25(24)29(30,31)32/h4-16,20,26-27,35H,17-19H2,1-3H3,(H,33,36)/t26-,27+/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease in spectrofluorometric assay

Bioorg Med Chem Lett 6: 445-450 (1996)


Article DOI: 10.1016/0960-894X(96)00035-2
BindingDB Entry DOI: 10.7270/Q2R78F6Z
More data for this
Ligand-Target Pair