Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587,Q496K]' and Ligand = 'BDBM293273'   

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 [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293273 (US10106504, Example 10) Show SMILES CN(C)Cc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C38H43FN2O5/c1-24-33(36(37(42)43)46-38(2,3)4)35(28-13-18-32-27(22-28)8-7-20-45-32)34(31(40-24)23-41(5)6)26-11-16-30(17-12-26)44-21-19-25-9-14-29(39)15-10-25/h9-18,22,36H,7-8,19-21,23H2,1-6H3,(H,42,43)/t36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	7.55	n/a
ViiV HEALTHCARE UK (NO.5) LIMITED US Patent					Assay Description A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...				US Patent US10106504 (2018) BindingDB Entry DOI: 10.7270/Q2BC41K2
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