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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 = 'BDBM296'   
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)		BDBM296
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)C1CCCCCC1 |r|
Show InChI InChI=1S/C34H56N4O6S/c1-24(2)31-30(17-20-45(31,42)43)44-33(41)35-27(21-25-13-9-8-10-14-25)29(39)23-38-19-18-37(26-15-11-6-7-12-16-26)22-28(38)32(40)36-34(3,4)5/h8-10,13-14,24,26-31,39H,6-7,11-12,15-23H2,1-5H3,(H,35,41)(H,36,40)/t27-,28-,29+,30+,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
n/an/a 91.4n/an/an/an/a5.230



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