Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587,Q496K]'   

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)	BDBM293265 (US10106504, Example 2) Show SMILES COc1ccc(COc2ccc(cc2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2-c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C33H34ClNO5/c1-20-28(23-11-17-27(18-12-23)39-19-22-7-15-26(38-6)16-8-22)30(24-9-13-25(34)14-10-24)29(21(2)35-20)31(32(36)37)40-33(3,4)5/h7-18,31H,19H2,1-6H3,(H,36,37)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	73	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293266 (US10106504, Example 3) Show SMILES COc1ccc(COc2ccc(cc2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2-c2ccc(C)cc2)cc1 |r| Show InChI InChI=1S/C34H37NO5/c1-21-8-12-26(13-9-21)31-29(22(2)35-23(3)30(31)32(33(36)37)40-34(4,5)6)25-14-18-28(19-15-25)39-20-24-10-16-27(38-7)17-11-24/h8-19,32H,20H2,1-7H3,(H,36,37)/t32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	550	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293266 (US10106504, Example 3) Show SMILES COc1ccc(COc2ccc(cc2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2-c2ccc(C)cc2)cc1 |r| Show InChI InChI=1S/C34H37NO5/c1-21-8-12-26(13-9-21)31-29(22(2)35-23(3)30(31)32(33(36)37)40-34(4,5)6)25-14-18-28(19-15-25)39-20-24-10-16-27(38-7)17-11-24/h8-19,32H,20H2,1-7H3,(H,36,37)/t32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	196	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293267 (US10106504, Example 4) Show SMILES COc1ccc(COc2ccc(cc2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2-c2ccc(OCc3ccc(OC)cc3)cc2)cc1 |r| Show InChI InChI=1S/C41H43NO7/c1-26-36(30-12-20-34(21-13-30)47-24-28-8-16-32(45-6)17-9-28)38(37(27(2)42-26)39(40(43)44)49-41(3,4)5)31-14-22-35(23-15-31)48-25-29-10-18-33(46-7)19-11-29/h8-23,39H,24-25H2,1-7H3,(H,43,44)/t39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	550	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293268 (US10106504, Example 5) Show SMILES Cc1ccc(cc1)-c1c([C@H](OC(C)(C)C)C(O)=O)c(C)nc(C)c1-c1ccc(OCc2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C33H34FNO4/c1-20-7-11-25(12-8-20)30-28(21(2)35-22(3)29(30)31(32(36)37)39-33(4,5)6)24-13-17-27(18-14-24)38-19-23-9-15-26(34)16-10-23/h7-18,31H,19H2,1-6H3,(H,36,37)/t31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	550	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293269 (US10106504, Example 6) Show SMILES Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O |r,wD:36.41,(6.34,-3.21,;5,-2.44,;3.67,-3.21,;2.34,-2.44,;1,-3.21,;2.34,-.9,;1,-.13,;.23,1.2,;-1.31,1.2,;-2.08,-.13,;-3.62,-.13,;-4.39,-1.46,;-5.93,-1.46,;-6.7,-2.8,;-8.24,-2.8,;-9.01,-4.13,;-8.24,-5.47,;-9.01,-6.8,;-6.7,-5.47,;-5.93,-4.13,;-1.31,-1.46,;.23,-1.46,;3.67,-.13,;3.67,1.41,;5,2.18,;5,3.72,;6.34,4.49,;3.67,4.49,;3.67,6.03,;2.34,6.8,;1,6.03,;1,4.49,;2.34,3.72,;2.34,2.18,;1,1.41,;5,-.9,;6.34,-.13,;6.34,1.41,;7.67,2.18,;9.01,1.41,;7.67,3.72,;9.01,2.95,;7.67,-.9,;9.01,-.13,;7.67,-2.44,)| Show InChI InChI=1S/C37H39F2NO5/c1-21-28-8-7-18-44-34(28)30(39)20-29(21)33-31(22(2)40-23(3)32(33)35(36(41)42)45-37(4,5)6)25-11-15-27(16-12-25)43-19-17-24-9-13-26(38)14-10-24/h9-16,20,35H,7-8,17-19H2,1-6H3,(H,41,42)/t35-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293270 (US10106504, Example 7) Show SMILES CCOc1ccc(cc1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C |r,wD:16.17,(-7.47,-3.26,;-5.93,-3.26,;-5.16,-1.93,;-3.62,-1.93,;-2.85,-.59,;-1.31,-.59,;-.54,-1.93,;-1.31,-3.26,;-2.85,-3.26,;.8,-2.7,;.8,-4.24,;-.54,-5.01,;2.13,-5.01,;3.46,-4.24,;4.8,-5.01,;3.46,-2.7,;4.8,-1.93,;4.8,-.39,;6.13,.38,;7.47,-.39,;6.13,1.92,;7.47,1.15,;6.13,-2.7,;7.47,-1.93,;6.13,-4.24,;2.13,-1.93,;2.13,-.39,;3.46,.38,;3.46,1.92,;4.8,2.69,;2.13,2.69,;2.13,4.24,;.8,5.01,;-.54,4.24,;-.54,2.69,;.8,1.92,;.8,.38,;-.54,-.39,)| Show InChI InChI=1S/C31H36FNO5/c1-8-36-21-13-11-20(12-14-21)25-18(3)33-19(4)26(29(30(34)35)38-31(5,6)7)27(25)23-16-24(32)28-22(17(23)2)10-9-15-37-28/h11-14,16,29H,8-10,15H2,1-7H3,(H,34,35)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	550	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293270 (US10106504, Example 7) Show SMILES CCOc1ccc(cc1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C |r,wD:16.17,(-7.47,-3.26,;-5.93,-3.26,;-5.16,-1.93,;-3.62,-1.93,;-2.85,-.59,;-1.31,-.59,;-.54,-1.93,;-1.31,-3.26,;-2.85,-3.26,;.8,-2.7,;.8,-4.24,;-.54,-5.01,;2.13,-5.01,;3.46,-4.24,;4.8,-5.01,;3.46,-2.7,;4.8,-1.93,;4.8,-.39,;6.13,.38,;7.47,-.39,;6.13,1.92,;7.47,1.15,;6.13,-2.7,;7.47,-1.93,;6.13,-4.24,;2.13,-1.93,;2.13,-.39,;3.46,.38,;3.46,1.92,;4.8,2.69,;2.13,2.69,;2.13,4.24,;.8,5.01,;-.54,4.24,;-.54,2.69,;.8,1.92,;.8,.38,;-.54,-.39,)| Show InChI InChI=1S/C31H36FNO5/c1-8-36-21-13-11-20(12-14-21)25-18(3)33-19(4)26(29(30(34)35)38-31(5,6)7)27(25)23-16-24(32)28-22(17(23)2)10-9-15-37-28/h11-14,16,29H,8-10,15H2,1-7H3,(H,34,35)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	545	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293271 (US10106504, Example 8) Show SMILES Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C41H41F2NO5/c1-26-36(30-10-18-34(19-11-30)47-24-22-28-6-14-32(42)15-7-28)38(37(27(2)44-26)39(40(45)46)49-41(3,4)5)31-12-20-35(21-13-31)48-25-23-29-8-16-33(43)17-9-29/h6-21,39H,22-25H2,1-5H3,(H,45,46)/t39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	550	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293272 (US10106504, Example 9) Show SMILES Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C36H38FNO5/c1-22-31(25-10-15-29(16-11-25)41-20-18-24-8-13-28(37)14-9-24)33(27-12-17-30-26(21-27)7-6-19-42-30)32(23(2)38-22)34(35(39)40)43-36(3,4)5/h8-17,21,34H,6-7,18-20H2,1-5H3,(H,39,40)/t34-/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
					More data for this Ligand-Target Pair
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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293274 (US10106504, Example 11) Show SMILES Cc1nc(CNCC2CCOCC2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C42H49FN2O6/c1-27-37(40(41(46)47)51-42(2,3)4)39(32-11-16-36-31(24-32)6-5-20-50-36)38(35(45-27)26-44-25-29-17-21-48-22-18-29)30-9-14-34(15-10-30)49-23-19-28-7-12-33(43)13-8-28/h7-16,24,29,40,44H,5-6,17-23,25-26H2,1-4H3,(H,46,47)/t40-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293275 (US10106504, Example 12) Show SMILES COCCNCc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C39H45FN2O6/c1-25-34(37(38(43)44)48-39(2,3)4)36(29-12-17-33-28(23-29)7-6-20-47-33)35(32(42-25)24-41-19-22-45-5)27-10-15-31(16-11-27)46-21-18-26-8-13-30(40)14-9-26/h8-17,23,37,41H,6-7,18-22,24H2,1-5H3,(H,43,44)/t37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293276 (US10106504, Example 13) Show SMILES CN(CC1CCOCC1)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/C43H51FN2O6/c1-28-38(41(42(47)48)52-43(2,3)4)40(33-12-17-37-32(25-33)7-6-21-51-37)39(36(45-28)27-46(5)26-30-18-22-49-23-19-30)31-10-15-35(16-11-31)50-24-20-29-8-13-34(44)14-9-29/h8-17,25,30,41H,6-7,18-24,26-27H2,1-5H3,(H,47,48)/t41-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293275 (US10106504, Example 12) Show SMILES COCCNCc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C39H45FN2O6/c1-25-34(37(38(43)44)48-39(2,3)4)36(29-12-17-33-28(23-29)7-6-20-47-33)35(32(42-25)24-41-19-22-45-5)27-10-15-31(16-11-27)46-21-18-26-8-13-30(40)14-9-26/h8-17,23,37,41H,6-7,18-22,24H2,1-5H3,(H,43,44)/t37-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293277 (US10106504, Example 14) Show SMILES Cc1nc(CO)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C36H38FNO6/c1-22-31(34(35(40)41)44-36(2,3)4)33(26-11-16-30-25(20-26)6-5-18-43-30)32(29(21-39)38-22)24-9-14-28(15-10-24)42-19-17-23-7-12-27(37)13-8-23/h7-16,20,34,39H,5-6,17-19,21H2,1-4H3,(H,40,41)/t34-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293278 (US10106504, Example 15) Show SMILES Cc1nc(COC2CCOCC2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C41H46FNO7/c1-26-36(39(40(44)45)50-41(2,3)4)38(30-11-16-35-29(24-30)6-5-20-48-35)37(34(43-26)25-49-33-18-21-46-22-19-33)28-9-14-32(15-10-28)47-23-17-27-7-12-31(42)13-8-27/h7-16,24,33,39H,5-6,17-23,25H2,1-4H3,(H,44,45)/t39-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293279 (US10106504, Example 16) Show SMILES Cc1nc(COCC2COC2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C40H44FNO7/c1-25-35(38(39(43)44)49-40(2,3)4)37(30-11-16-34-29(20-30)6-5-18-48-34)36(33(42-25)24-46-23-27-21-45-22-27)28-9-14-32(15-10-28)47-19-17-26-7-12-31(41)13-8-26/h7-16,20,27,38H,5-6,17-19,21-24H2,1-4H3,(H,43,44)/t38-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293280 (US10106504, Example 17) Show SMILES CCOCCOCc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C40H46FNO7/c1-6-45-22-23-46-25-33-36(28-11-16-32(17-12-28)47-21-19-27-9-14-31(41)15-10-27)37(30-13-18-34-29(24-30)8-7-20-48-34)35(26(2)42-33)38(39(43)44)49-40(3,4)5/h9-18,24,38H,6-8,19-23,25H2,1-5H3,(H,43,44)/t38-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293281 (US10106504, Example 18) Show SMILES CCOCCOCCOCc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C42H50FNO8/c1-6-47-22-23-48-24-25-49-27-35-38(30-11-16-34(17-12-30)50-21-19-29-9-14-33(43)15-10-29)39(32-13-18-36-31(26-32)8-7-20-51-36)37(28(2)44-35)40(41(45)46)52-42(3,4)5/h9-18,26,40H,6-8,19-25,27H2,1-5H3,(H,45,46)/t40-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293282 (US10106504, Example 19) Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)C(=O)OCc2ccccc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C39H42N2O6/c1-24-33(29-13-14-31-22-41(18-17-27(31)20-29)38(44)46-23-26-10-7-6-8-11-26)35(30-15-16-32-28(21-30)12-9-19-45-32)34(25(2)40-24)36(37(42)43)47-39(3,4)5/h6-8,10-11,13-16,20-21,36H,9,12,17-19,22-23H2,1-5H3,(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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293282 (US10106504, Example 19) Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)C(=O)OCc2ccccc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C39H42N2O6/c1-24-33(29-13-14-31-22-41(18-17-27(31)20-29)38(44)46-23-26-10-7-6-8-11-26)35(30-15-16-32-28(21-30)12-9-19-45-32)34(25(2)40-24)36(37(42)43)47-39(3,4)5/h6-8,10-11,13-16,20-21,36H,9,12,17-19,22-23H2,1-5H3,(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	69	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293283 (US10106504, Example 20) Show SMILES Cc1nc(C)c(-c2ccc3CN(Cc4ccc(F)cc4)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C38H41FN2O4/c1-23-33(28-10-11-30-22-41(17-16-26(30)19-28)21-25-8-13-31(39)14-9-25)35(29-12-15-32-27(20-29)7-6-18-44-32)34(24(2)40-23)36(37(42)43)45-38(3,4)5/h8-15,19-20,36H,6-7,16-18,21-22H2,1-5H3,(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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293313 (US10106504, Example 50) Show SMILES Cc1cc(F)ccc1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1 |r| Show InChI InChI=1S/C39H42F2N2O4/c1-22-16-31(40)12-11-28(22)20-43-14-13-25-17-26(9-10-29(25)21-43)33-23(2)42-24(3)34(37(38(44)45)47-39(4,5)6)35(33)30-18-27-8-7-15-46-36(27)32(41)19-30/h9-12,16-19,37H,7-8,13-15,20-21H2,1-6H3,(H,44,45)/t37-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293314 (US10106504, Example 51) Show SMILES Cc1cccc(Cl)c1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1 |r| Show InChI InChI=1S/C39H42ClFN2O4/c1-22-9-7-11-31(40)30(22)21-43-15-14-25-17-26(12-13-28(25)20-43)33-23(2)42-24(3)34(37(38(44)45)47-39(4,5)6)35(33)29-18-27-10-8-16-46-36(27)32(41)19-29/h7,9,11-13,17-19,37H,8,10,14-16,20-21H2,1-6H3,(H,44,45)/t37-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293315 (US10106504, Example 52) Show SMILES Cc1cc(ncn1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1 |r| Show InChI InChI=1S/C36H39FN4O4/c1-20-14-29(39-19-38-20)41-12-11-23-15-24(9-10-26(23)18-41)30-21(2)40-22(3)31(34(35(42)43)45-36(4,5)6)32(30)27-16-25-8-7-13-44-33(25)28(37)17-27/h9-10,14-17,19,34H,7-8,11-13,18H2,1-6H3,(H,42,43)/t34-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293312 (US10106504, Example 49) Show SMILES Cc1cccc(F)c1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1 |r| Show InChI InChI=1S/C39H42F2N2O4/c1-22-9-7-11-31(40)30(22)21-43-15-14-25-17-26(12-13-28(25)20-43)33-23(2)42-24(3)34(37(38(44)45)47-39(4,5)6)35(33)29-18-27-10-8-16-46-36(27)32(41)19-29/h7,9,11-13,17-19,37H,8,10,14-16,20-21H2,1-6H3,(H,44,45)/t37-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293316 (US10106504, Example 53) Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3n(C)ncc23)c(-c2cc(F)c3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C37H39FN6O4/c1-20-29(23-9-10-25-18-44(12-11-22(25)14-23)35-27-17-41-43(6)34(27)39-19-40-35)31(26-15-24-8-7-13-47-32(24)28(38)16-26)30(21(2)42-20)33(36(45)46)48-37(3,4)5/h9-10,14-17,19,33H,7-8,11-13,18H2,1-6H3,(H,45,46)/t33-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293317 (US10106504, Example 54) Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3n(C)ncc23)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C37H40N6O4/c1-21-30(25-9-10-27-19-43(14-13-23(27)16-25)35-28-18-40-42(6)34(28)38-20-39-35)32(26-11-12-29-24(17-26)8-7-15-46-29)31(22(2)41-21)33(36(44)45)47-37(3,4)5/h9-12,16-18,20,33H,7-8,13-15,19H2,1-6H3,(H,44,45)/t33-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293317 (US10106504, Example 54) Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3n(C)ncc23)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C37H40N6O4/c1-21-30(25-9-10-27-19-43(14-13-23(27)16-25)35-28-18-40-42(6)34(28)38-20-39-35)32(26-11-12-29-24(17-26)8-7-15-46-29)31(22(2)41-21)33(36(44)45)47-37(3,4)5/h9-12,16-18,20,33H,7-8,13-15,19H2,1-6H3,(H,44,45)/t33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293318 (US10106504, Example 55) Show SMILES Cc1cc(ncn1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C36H40N4O4/c1-21-16-30(38-20-37-21)40-14-13-24-17-26(9-10-28(24)19-40)31-22(2)39-23(3)32(34(35(41)42)44-36(4,5)6)33(31)27-11-12-29-25(18-27)8-7-15-43-29/h9-12,16-18,20,34H,7-8,13-15,19H2,1-6H3,(H,41,42)/t34-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293319 (US10106504, Example 56) Show SMILES Cc1cc(F)ccc1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C39H43FN2O4/c1-23-18-32(40)13-11-30(23)21-42-16-15-26-19-28(9-10-31(26)22-42)34-24(2)41-25(3)35(37(38(43)44)46-39(4,5)6)36(34)29-12-14-33-27(20-29)8-7-17-45-33/h9-14,18-20,37H,7-8,15-17,21-22H2,1-6H3,(H,43,44)/t37-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293320 (US10106504, Example 57) Show SMILES COc1nccc(n1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C36H40N4O5/c1-21-30(25-9-10-27-20-40(16-14-23(27)18-25)29-13-15-37-35(39-29)43-6)32(26-11-12-28-24(19-26)8-7-17-44-28)31(22(2)38-21)33(34(41)42)45-36(3,4)5/h9-13,15,18-19,33H,7-8,14,16-17,20H2,1-6H3,(H,41,42)/t33-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293321 (US10106504, Example 58) Show SMILES Cc1cc(nc(C)n1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C37H42N4O4/c1-21-17-31(40-24(4)38-21)41-15-14-25-18-27(10-11-29(25)20-41)32-22(2)39-23(3)33(35(36(42)43)45-37(5,6)7)34(32)28-12-13-30-26(19-28)9-8-16-44-30/h10-13,17-19,35H,8-9,14-16,20H2,1-7H3,(H,42,43)/t35-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293322 (US10106504, Example 59) Show SMILES Cc1nc(N)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C35H37FN2O5/c1-21-29(32(34(39)40)43-35(2,3)4)30(25-11-16-28-24(20-25)6-5-18-42-28)31(33(37)38-21)23-9-14-27(15-10-23)41-19-17-22-7-12-26(36)13-8-22/h7-16,20,32H,5-6,17-19H2,1-4H3,(H2,37,38)(H,39,40)/t32-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293323 (US10106504, Example 60) Show SMILES Cc1cc(F)ccc1CN1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C38H42FN3O4/c1-22-17-30(39)12-10-28(22)20-42-15-14-24-18-27(8-9-29(24)21-42)34-33(26-11-13-31-25(19-26)7-6-16-45-31)32(23(2)41-36(34)40)35(37(43)44)46-38(3,4)5/h8-13,17-19,35H,6-7,14-16,20-21H2,1-5H3,(H2,40,41)(H,43,44)/t35-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293323 (US10106504, Example 60) Show SMILES Cc1cc(F)ccc1CN1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C38H42FN3O4/c1-22-17-30(39)12-10-28(22)20-42-15-14-24-18-27(8-9-29(24)21-42)34-33(26-11-13-31-25(19-26)7-6-16-45-31)32(23(2)41-36(34)40)35(37(43)44)46-38(3,4)5/h8-13,17-19,35H,6-7,14-16,20-21H2,1-5H3,(H2,40,41)(H,43,44)/t35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293324 (US10106504, Example 61) Show SMILES Cc1nc(N)c(-c2ccc3CN(Cc4cccc(F)c4C)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C38H42FN3O4/c1-22-28(8-6-10-30(22)39)20-42-16-15-24-18-27(11-12-29(24)21-42)34-33(26-13-14-31-25(19-26)9-7-17-45-31)32(23(2)41-36(34)40)35(37(43)44)46-38(3,4)5/h6,8,10-14,18-19,35H,7,9,15-17,20-21H2,1-5H3,(H2,40,41)(H,43,44)/t35-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293325 (US10106504, Example 62) Show SMILES Cc1cccc(F)c1CN1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C38H42FN3O4/c1-22-8-6-10-30(39)29(22)21-42-16-15-24-18-27(11-12-28(24)20-42)34-33(26-13-14-31-25(19-26)9-7-17-45-31)32(23(2)41-36(34)40)35(37(43)44)46-38(3,4)5/h6,8,10-14,18-19,35H,7,9,15-17,20-21H2,1-5H3,(H2,40,41)(H,43,44)/t35-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293326 (US10106504, Example 63) Show SMILES Cc1cccc(Cl)c1CN1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C38H42ClN3O4/c1-22-8-6-10-30(39)29(22)21-42-16-15-24-18-27(11-12-28(24)20-42)34-33(26-13-14-31-25(19-26)9-7-17-45-31)32(23(2)41-36(34)40)35(37(43)44)46-38(3,4)5/h6,8,10-14,18-19,35H,7,9,15-17,20-21H2,1-5H3,(H2,40,41)(H,43,44)/t35-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293327 (US10106504, Example 64) Show SMILES COc1nccc(n1)N1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C35H39N5O5/c1-20-28(31(33(41)42)45-35(2,3)4)29(23-10-11-26-22(18-23)7-6-16-44-26)30(32(36)38-20)24-8-9-25-19-40(15-13-21(25)17-24)27-12-14-37-34(39-27)43-5/h8-12,14,17-18,31H,6-7,13,15-16,19H2,1-5H3,(H2,36,38)(H,41,42)/t31-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293329 (US10106504, Example 66) Show SMILES Cc1nc(CCCC2CCOCC2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C43H50FNO6/c1-28-38(41(42(46)47)51-43(2,3)4)40(33-14-19-37-32(27-33)8-6-23-50-37)39(36(45-28)9-5-7-29-20-24-48-25-21-29)31-12-17-35(18-13-31)49-26-22-30-10-15-34(44)16-11-30/h10-19,27,29,41H,5-9,20-26H2,1-4H3,(H,46,47)/t41-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293329 (US10106504, Example 66) Show SMILES Cc1nc(CCCC2CCOCC2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C43H50FNO6/c1-28-38(41(42(46)47)51-43(2,3)4)40(33-14-19-37-32(27-33)8-6-23-50-37)39(36(45-28)9-5-7-29-20-24-48-25-21-29)31-12-17-35(18-13-31)49-26-22-30-10-15-34(44)16-11-30/h10-19,27,29,41H,5-9,20-26H2,1-4H3,(H,46,47)/t41-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293330 (US10106504, Example 67) Show SMILES Cc1cc(ncn1)N1CCc2cc(ccc2C1)-c1c(CCCC2CCOCC2)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C43H52N4O5/c1-27-22-37(45-26-44-27)47-18-15-30-23-32(11-12-34(30)25-47)39-35(10-6-8-29-16-20-50-21-17-29)46-28(2)38(41(42(48)49)52-43(3,4)5)40(39)33-13-14-36-31(24-33)9-7-19-51-36/h11-14,22-24,26,29,41H,6-10,15-21,25H2,1-5H3,(H,48,49)/t41-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293331 (US10106504, Example 68) Show SMILES Cc1cccc(F)c1CN1CCc2cc(ccc2C1)-c1c(CCCC2CCOCC2)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C46H55FN2O5/c1-29-9-6-12-38(47)37(29)28-49-21-18-32-25-34(14-15-36(32)27-49)42-39(13-7-10-31-19-23-52-24-20-31)48-30(2)41(44(45(50)51)54-46(3,4)5)43(42)35-16-17-40-33(26-35)11-8-22-53-40/h6,9,12,14-17,25-26,31,44H,7-8,10-11,13,18-24,27-28H2,1-5H3,(H,50,51)/t44-/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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293284 (US10106504, Example 21) Show SMILES Cc1nc(C)c(-c2ccc3CNCCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C31H36N2O4/c1-18-26(22-8-9-24-17-32-13-12-20(24)15-22)28(23-10-11-25-21(16-23)7-6-14-36-25)27(19(2)33-18)29(30(34)35)37-31(3,4)5/h8-11,15-16,29,32H,6-7,12-14,17H2,1-5H3,(H,34,35)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293284 (US10106504, Example 21) Show SMILES Cc1nc(C)c(-c2ccc3CNCCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C31H36N2O4/c1-18-26(22-8-9-24-17-32-13-12-20(24)15-22)28(23-10-11-25-21(16-23)7-6-14-36-25)27(19(2)33-18)29(30(34)35)37-31(3,4)5/h8-11,15-16,29,32H,6-7,12-14,17H2,1-5H3,(H,34,35)/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.77E+3	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293285 (US10106504, Example 22) Show SMILES CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C32H38N2O4/c1-19-27(23-9-10-25-18-34(6)14-13-21(25)16-23)29(24-11-12-26-22(17-24)8-7-15-37-26)28(20(2)33-19)30(31(35)36)38-32(3,4)5/h9-12,16-17,30H,7-8,13-15,18H2,1-6H3,(H,35,36)/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	550	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293285 (US10106504, Example 22) Show SMILES CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r| Show InChI InChI=1S/C32H38N2O4/c1-19-27(23-9-10-25-18-34(6)14-13-21(25)16-23)29(24-11-12-26-22(17-24)8-7-15-37-26)28(20(2)33-19)30(31(35)36)38-32(3,4)5/h9-12,16-17,30H,7-8,13-15,18H2,1-6H3,(H,35,36)/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	628	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
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293286 (US10106504, Example 23) Show SMILES Cc1nc(C)c(-c2ccc3CN(Cc4ccccc4F)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C38H41FN2O4/c1-23-33(27-12-13-29-21-41(17-16-25(29)19-27)22-30-9-6-7-11-31(30)39)35(28-14-15-32-26(20-28)10-8-18-44-32)34(24(2)40-23)36(37(42)43)45-38(3,4)5/h6-7,9,11-15,19-20,36H,8,10,16-18,21-22H2,1-5H3,(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
					More data for this Ligand-Target Pair

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