Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM291'   

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)	BDBM291 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) Show SMILES CCCCCCCCN1CCN(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/C35H60N4O6S/c1-7-8-9-10-11-15-19-38-20-21-39(29(24-38)33(41)37-35(4,5)6)25-30(40)28(23-27-16-13-12-14-17-27)36-34(42)45-31-18-22-46(43,44)32(31)26(2)3/h12-14,16-17,26,28-32,40H,7-11,15,18-25H2,1-6H3,(H,36,42)(H,37,41)/t28-,29-,30+,31+,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	8.40	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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