Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM86657'   

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
HIV-1 protease (Human immunodeficiency virus)	BDBM86657 (3-Hexanol derivative, 3) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r| Show InChI InChI=1S/C31H36N2O6/c1-21-26(13-8-14-28(21)34)30(36)33-27(18-23-11-6-3-7-12-23)29(35)19-24(17-22-9-4-2-5-10-22)32-31(37)39-25-15-16-38-20-25/h2-14,24-25,27,29,34-35H,15-20H2,1H3,(H,32,37)(H,33,36)/t24-,25?,27-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Lódz					Assay Description The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate.				Chem Biol Drug Des 79: 798-809 (2012) Article DOI: 10.1111/j.1747-0285.2012.01328.x BindingDB Entry DOI: 10.7270/Q25T3J23
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