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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM300'   
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM300
PNG
((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CC1 |r,w:38.40|
Show InChI InChI=1S/C30H48N4O6S/c1-20(2)27-26(13-16-41(27,38)39)40-29(37)31-23(17-21-9-7-6-8-10-21)25(35)19-34-15-14-33(22-11-12-22)18-24(34)28(36)32-30(3,4)5/h6-10,20,22-27,35H,11-19H2,1-5H3,(H,31,37)(H,32,36)/t23-,24-,25+,26+,27+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Similars
n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...

Bioorg Med Chem Lett 5: 2707-12 (1995)


BindingDB Entry DOI: 10.7270/Q22N50FH
More data for this
Ligand-Target Pair