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 = 'BDBM32393'   

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)	BDBM32393 (carboxamide, 12b) Show SMILES O=C(Cc1ccccc1)N(CCCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C35H39N3O2/c39-34(26-30-14-5-1-6-15-30)37(28-32-18-9-3-10-19-32)24-13-22-36-23-25-38(29-33-20-11-4-12-21-33)35(40)27-31-16-7-2-8-17-31/h1-12,14-21,36H,13,22-29H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	5.5	23
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
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