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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 = 'BDBM50286686'   
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)		BDBM50286686
PNG
(CHEMBL163275 | N-[(1R,2R)-3-(2-tert-Butylcarbamoyl...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)CCC(N)=O
Show InChI InChI=1S/C25H33N3O4S/c1-25(2,3)28-24(32)19-12-8-7-9-17(19)15-21(29)20(27-23(31)14-13-22(26)30)16-33-18-10-5-4-6-11-18/h4-12,20-21,29H,13-16H2,1-3H3,(H2,26,30)(H,27,31)(H,28,32)/t20-,21+/m0/s1
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PC cid
PC sid
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Similars
Article
n/an/a>150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease

Bioorg Med Chem Lett 5: 715-720 (1995)


Article DOI: 10.1016/0960-894X(95)00101-X
BindingDB Entry DOI: 10.7270/Q2K937HR
More data for this
Ligand-Target Pair