Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM168611'   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM168611 (US9079834, 6) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCC(F)(F)CC[C@@H](CO)N(C1CCC(F)(F)CC1)S(=O)(=O)c1ccc2ncsc2c1 |r| Show InChI InChI=1S/C36H40F4N4O6S2/c1-50-34(47)43-32(31(24-8-4-2-5-9-24)25-10-6-3-7-11-25)33(46)41-22-36(39,40)19-16-27(21-45)44(26-14-17-35(37,38)18-15-26)52(48,49)28-12-13-29-30(20-28)51-23-42-29/h2-13,20,23,26-27,31-32,45H,14-19,21-22H2,1H3,(H,41,46)(H,43,47)/t27-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.73	n/a	n/a	n/a	n/a	n/a	n/a
Merck Canada Inc. US Patent					Assay Description Assays for the inhibition of acute HIV infection of T-lymphoid cells were conducted in accordance with Vacca, J.P. et al, Proc. Natl. Acad. Sci. USA ...				US Patent US9079834 (2015) BindingDB Entry DOI: 10.7270/Q2PV6J44
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