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 = 'BDBM1161'   

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)	BDBM1161 ((4R,5S,6S,7R)-1,3-Dibenzyl-4,7-bis(2-phenylethyl)-...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C35H38N2O3/c38-33-31(23-21-27-13-5-1-6-14-27)36(25-29-17-9-3-10-18-29)35(40)37(26-30-19-11-4-12-20-30)32(34(33)39)24-22-28-15-7-2-8-16-28/h1-20,31-34,38-39H,21-26H2/t31-,32-,33+,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	214	-39.6	4.00E+3	n/a	n/a	n/a	n/a	5.5	37
Uppsala University					Assay Description The IC50 value is the inhibitor concentration that results in 50% of HIV-1 protease activity measured by a spectrophotometric assay using a chromopho...				J Med Chem 40: 885-97 (1997) Article DOI: 10.1021/jm960728j BindingDB Entry DOI: 10.7270/Q24B2ZGX
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