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 = 'BDBM12200'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM12200 ((2S)-N-[(2S,3R)-3-hydroxy-4-[(4-methanesulfonamido...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 |r| Show InChI InChI=1S/C34H48N6O7S3/c1-23(2)19-39(50(46,47)29-14-12-27(13-15-29)37-49(6,44)45)21-31(41)30(18-26-10-8-7-9-11-26)36-33(42)32(24(3)4)40-17-16-38(34(40)43)20-28-22-48-25(5)35-28/h7-15,22-24,30-32,37,41H,16-21H2,1-6H3,(H,36,42)/t30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
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