Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [501-599]' and Ligand = 'BDBM9825'   

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 [501-599] (Human immunodeficiency virus type 1)	BDBM9825 (1-[(5S)-5-[(4-aminobenzene)(2-methylpropyl)sulfona...) Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1cccs1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C30H40N4O6S2/c1-22(2)17-34(42(37,38)27-11-9-24(31)10-12-27)25(20-35)6-3-4-14-32-30(36)33(19-26-7-5-15-41-26)18-23-8-13-28-29(16-23)40-21-39-28/h5,7-13,15-16,22,25,35H,3-4,6,14,17-21,31H2,1-2H3,(H,32,36)/t25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procyon Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...				Bioorg Med Chem Lett 14: 3971-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.049 BindingDB Entry DOI: 10.7270/Q22V2DB2
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