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 = 'BDBM9835'   

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)	BDBM9835 (1-[(5S)-5-[(4-aminobenzene)(3-methylbutyl)sulfonam...) Show SMILES CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1cccs1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C31H42N4O6S2/c1-23(2)14-16-35(43(38,39)28-11-9-25(32)10-12-28)26(21-36)6-3-4-15-33-31(37)34(20-27-7-5-17-42-27)19-24-8-13-29-30(18-24)41-22-40-29/h5,7-13,17-18,23,26,36H,3-4,6,14-16,19-22,32H2,1-2H3,(H,33,37)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	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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