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 = 'BDBM805'   

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)	BDBM805 (Macrocycle-containing Compound 9k | tert-butyl N-[...) Show SMILES CCCOC[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)OC(C)(C)C |r| Show InChI InChI=1S/C40H61N5O10S/c1-8-22-53-26-35-38(49)42-34(36(47)25-45(21-20-27(2)3)56(51,52)32-18-14-30(15-19-32)41-28(4)46)24-29-12-16-31(17-13-29)54-23-10-9-11-33(37(48)43-35)44-39(50)55-40(5,6)7/h12-19,27,33-36,47H,8-11,20-26H2,1-7H3,(H,41,46)(H,42,49)(H,43,48)(H,44,50)/t33-,34-,35-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	-43.6	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
					More data for this Ligand-Target Pair