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 = 'BDBM12211'   

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)	BDBM12211 ((2S)-N-[(2S,3R)-3-hydroxy-4-({4-[(1E)-(methoxyimin...) Show SMILES CO\N=C\c1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O |r| Show InChI InChI=1S/C35H48N6O6S2/c1-24(2)20-40(49(45,46)30-14-12-28(13-15-30)19-36-47-6)22-32(42)31(18-27-10-8-7-9-11-27)38-34(43)33(25(3)4)41-17-16-39(35(41)44)21-29-23-48-26(5)37-29/h7-15,19,23-25,31-33,42H,16-18,20-22H2,1-6H3,(H,38,43)/b36-19+/t31-,32+,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	653	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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