Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B]' and Ligand = 'BDBM803'   

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,Q7K,L33I,C67B,C95B] (Human immunodeficiency virus type 1)	BDBM803 (Macrocycle-containing Compound 9i | N-[(7S,10S,13S...) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)CCCC |r| Show InChI InChI=1S/C40H61N5O8S/c1-6-8-12-35-40(50)44-36(37(47)27-45(24-23-28(3)4)54(51,52)33-21-17-31(18-22-33)41-29(5)46)26-30-15-19-32(20-16-30)53-25-11-10-13-34(39(49)43-35)42-38(48)14-9-7-2/h15-22,28,34-37,47H,6-14,23-27H2,1-5H3,(H,41,46)(H,42,48)(H,43,49)(H,44,50)/t34-,35-,36-,37+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	6.5	37
University of Queensland					Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...				J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ
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