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 = 'BDBM9809'   

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)	BDBM9809 ((2S)-2-[(4-methylbenzene)(2-methylpropyl)sulfonami...) Show SMILES CC(C)CN([C@@H](CCCCNC(=O)NCc1ccccn1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H34N4O5S/c1-18(2)17-28(34(32,33)21-12-10-19(3)11-13-21)22(23(29)30)9-5-7-15-26-24(31)27-16-20-8-4-6-14-25-20/h4,6,8,10-14,18,22H,5,7,9,15-17H2,1-3H3,(H,29,30)(H2,26,27,31)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>300	>-37.9	n/a	n/a	n/a	n/a	n/a	4.7	30
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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