Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM1928'   

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 [489-587] (Human immunodeficiency virus type 1)	BDBM1928 (2-[[[3-[1-(4-Hydroxy-2-oxo-2H-1-benzopyran-3-yl)pr...) Show SMILES CCC(c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1)c1c(O)c2ccccc2oc1=O |r| Show InChI InChI=1S/C28H32N2O6/c1-5-19(23-24(31)20-12-6-7-14-22(20)35-26(23)33)17-10-8-11-18(16-17)29-25(32)21-13-9-15-30(21)27(34)36-28(2,3)4/h6-8,10-12,14,16,19,21,31H,5,9,13,15H2,1-4H3,(H,29,32)/t19?,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	-30.8	n/a	n/a	n/a	n/a	n/a	5.0	22
Upjohn					Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...				J Med Chem 38: 3624-37 (1995) Article DOI: 10.1021/jm00018a023 BindingDB Entry DOI: 10.7270/Q22B8W65
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