Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM295'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM295 ((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(CC(C)(C)C)C[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C32H54N4O6S/c1-22(2)28-27(14-17-43(28,40)41)42-30(39)33-24(18-23-12-10-9-11-13-23)26(37)20-36-16-15-35(21-31(3,4)5)19-25(36)29(38)34-32(6,7)8/h9-13,22,24-28,37H,14-21H2,1-8H3,(H,33,39)(H,34,38)/t24-,25-,26+,27+,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Tested in vitro for the ability to inhibit HIV-1 protease				Bioorg Med Chem Lett 5: 2707-12 (1995) BindingDB Entry DOI: 10.7270/Q22N50FH
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