Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D]' and Ligand = 'BDBM17843'   

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,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1)	BDBM17843 ((Hydroxyethyl)hydrazine Isostere-Based Compound, 3...) Show SMILES COC(=O)N[C@H](C(=O)NN(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C32H45N5O7/c1-21(2)18-36(35-29(40)27(32(3,4)5)34-30(41)43-6)19-25(38)24(17-22-13-9-7-10-14-22)33-28(39)26-20-37(31(42)44-26)23-15-11-8-12-16-23/h7-16,21,24-27,38H,17-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,40)/t24-,25-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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