Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [491-589,Q496K]' and Ligand = 'BDBM17845'   

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 [491-589,Q496K] (Human immunodeficiency virus type 1)	BDBM17845 ((5S)-N-[(2S,3S)-3-hydroxy-4-{[(5S)-2-oxo-3-phenyl-...) Show SMILES O[C@@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r| Show InChI InChI=1S/C42H40N6O7/c49-36(35(24-29-12-4-1-5-13-29)44-39(50)37-27-47(41(52)54-37)32-14-6-2-7-15-32)26-46(25-30-19-21-31(22-20-30)34-18-10-11-23-43-34)45-40(51)38-28-48(42(53)55-38)33-16-8-3-9-17-33/h1-23,35-38,49H,24-28H2,(H,44,50)(H,45,51)/t35-,36-,37-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	-37.9	n/a	n/a	n/a	n/a	n/a	4.7	30
University of Massachusetts Medical School					Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...				J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX
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