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 = 'BDBM1929'   

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)	BDBM1929 (4-Hydroxy-3-[1-[3-[[3-(1H-indol-1-yl)-1-oxopropyl]...) Show SMILES CCC(c1cccc(NC(=O)CCn2ccc3ccccc23)c1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C29H26N2O4/c1-2-22(27-28(33)23-11-4-6-13-25(23)35-29(27)34)20-9-7-10-21(18-20)30-26(32)15-17-31-16-14-19-8-3-5-12-24(19)31/h3-14,16,18,22,33H,2,15,17H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	-39.3	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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