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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 = 'BDBM294'   
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)		BDBM294
PNG
((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...)
Show SMILES CC(C)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@@H](C1)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H52N4O6S/c1-21(2)18-34-14-15-35(25(19-34)29(37)33-31(5,6)7)20-26(36)24(17-23-11-9-8-10-12-23)32-30(38)41-27-13-16-42(39,40)28(27)22(3)4/h8-12,21-22,24-28,36H,13-20H2,1-7H3,(H,32,38)(H,33,37)/t24-,25-,26+,27+,28+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
n/an/a 27.1n/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