Compile Data Set for Download or QSAR

Found 277 hits of ec50 for UniProtKB: P12497   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] (Human immunodeficiency virus)	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV WT-C pol protein (wild-type clade C) (Human immunodeficiency virus)	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
MDR1 (Human immunodeficiency virus)	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.230	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-892] (Human immunodeficiency virus)	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.25	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV WT-A pol protein (wild-type clade A) (Human immunodeficiency virus)	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
MDRC4 (Human immunodeficiency virus)	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372411 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCC(C)(O)CC1 |r,t:18,20| Show InChI InChI=1S/C45H71FN2O3/c1-30(2)32-13-20-45(47-25-28-48-26-23-40(5,51)24-27-48)22-21-42(7)34(37(32)45)9-10-36-41(6)16-14-33(39(3,4)35(41)15-17-43(36,42)8)31-11-18-44(29-46,19-12-31)38(49)50/h11,14,32,34-37,47,51H,1,9-10,12-13,15-29H2,2-8H3,(H,49,50)/t32-,34+,35-,36+,37+,41-,42+,43+,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.21	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372344 (Preparation of diasteromeric (1R)- and (1S)-4-((1R...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,w:23.23,t:18,20| Show InChI InChI=1S/C43H67FN2O4S/c1-29(2)31-12-19-43(45-22-23-46-24-26-51(49,50)27-25-46)21-20-40(6)33(36(31)43)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-44,18-11-30)37(47)48/h10,13,31,33-36,45H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42?,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.29	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372366 (Preparation of (R)-4-((1S,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C43H69FN2O4S/c1-29(2)31-12-19-43(45-22-23-46-24-26-51(49,50)27-25-46)21-20-40(6)33(36(31)43)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-44,18-11-30)37(47)48/h10,13,29,31,33-36,45H,8-9,11-12,14-28H2,1-7H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.34	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372407 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCC[C@@]1(O)CC[C@@H](CC1)S(C)(=O)=O |r,wU:34.36,14.13,39.44,37.41,15.15,6.45,23.28,43.49,47.56,wD:11.11,3.2,9.9,23.23,43.48,t:18,20,(.58,6.84,;.18,5.35,;-1.31,4.95,;1.27,4.26,;2.8,4.42,;3.43,3.02,;2.28,1.99,;2.28,.45,;.95,-.32,;-.38,.45,;-.38,-1.09,;-.38,1.99,;-1.72,2.76,;-3.05,1.99,;-3.05,.45,;-4.39,-.32,;-4.39,1.22,;-5.72,.45,;-7.05,-.32,;-7.05,-1.86,;-8.39,-2.63,;-9.72,-1.86,;-11.05,-2.63,;-11.05,-4.17,;-12.39,-3.4,;-12.39,-1.86,;-9.72,-4.94,;-8.39,-4.17,;-11.82,-5.51,;-13.36,-5.51,;-11.05,-6.84,;-5.72,-2.63,;-6.49,-3.97,;-4.95,-3.97,;-4.39,-1.86,;-3.05,-2.63,;-1.72,-1.86,;-1.72,-.32,;-1.72,1.22,;.95,2.76,;3.62,1.22,;4.95,1.99,;6.28,1.22,;7.62,1.99,;6.28,2.76,;8.39,.65,;9.93,.65,;10.7,1.99,;9.93,3.32,;8.39,3.32,;12.03,2.76,;13.36,1.99,;11.26,4.09,;12.8,4.09,)| Show InChI InChI=1S/C46H72FNO5S/c1-30(2)33-15-24-46(48-28-27-45(51)22-13-32(14-23-45)54(8,52)53)26-25-42(6)35(38(33)46)9-10-37-41(5)18-16-34(40(3,4)36(41)17-19-43(37,42)7)31-11-20-44(29-47,21-12-31)39(49)50/h11,16,32-33,35-38,48,51H,1,9-10,12-15,17-29H2,2-8H3,(H,49,50)/t32-,33-,35+,36-,37+,38+,41-,42+,43+,44-,45+,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.35	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372348 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1C[C@@H]2C[C@@H]1CS2(=O)=O |r,t:18,20| Show InChI InChI=1S/C44H67FN2O4S/c1-28(2)32-12-19-44(46-22-23-47-25-31-24-30(47)26-52(31,50)51)21-20-41(6)34(37(32)44)8-9-36-40(5)15-13-33(39(3,4)35(40)14-16-42(36,41)7)29-10-17-43(27-45,18-11-29)38(48)49/h10,13,30-32,34-37,46H,1,8-9,11-12,14-27H2,2-7H3,(H,48,49)/t30-,31+,32+,34-,35+,36-,37-,40+,41-,42-,43+,44+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.41	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372346 (Method A: (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13a...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C43H67FN2O4S/c1-29(2)31-12-19-43(45-22-23-46-24-26-51(49,50)27-25-46)21-20-40(6)33(36(31)43)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-44,18-11-30)37(47)48/h10,13,31,33-36,45H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.48	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372380 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCC(=O)N1CCS(=O)(=O)C1 |r,t:18,20| Show InChI InChI=1S/C42H63FN2O5S/c1-27(2)29-12-19-42(44-24-34(46)45-22-23-51(49,50)26-45)21-20-39(6)31(35(29)42)8-9-33-38(5)15-13-30(37(3,4)32(38)14-16-40(33,39)7)28-10-17-41(25-43,18-11-28)36(47)48/h10,13,29,31-33,35,44H,1,8-9,11-12,14-26H2,2-7H3,(H,47,48)/t29-,31+,32-,33+,35+,38-,39+,40+,41-,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.57	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] (Human immunodeficiency virus)	BDBM104107 ((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H43N3O6S/c1-7-21(4)28(30-22(5)33)29(35)31-26(17-23-11-9-8-10-12-23)27(34)19-32(18-20(2)3)39(36,37)25-15-13-24(38-6)14-16-25/h8-16,20-21,26-28,34H,7,17-19H2,1-6H3,(H,30,33)(H,31,35)/t21-,26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372349 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C44H69FN2O4S/c1-30(2)32-13-20-44(46-23-25-47-24-8-27-52(50,51)28-26-47)22-21-41(6)34(37(32)44)9-10-36-40(5)16-14-33(39(3,4)35(40)15-17-42(36,41)7)31-11-18-43(29-45,19-12-31)38(48)49/h11,14,32,34-37,46H,1,8-10,12-13,15-29H2,2-7H3,(H,48,49)/t32-,34+,35-,36+,37+,40-,41+,42+,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372406 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCC[C@]1(O)CC[C@@](C)(O)CC1 |r,wU:34.36,14.13,39.44,37.41,15.15,6.45,23.28,43.49,47.54,wD:11.11,3.2,9.9,23.23,43.48,47.53,t:18,20,(1.25,6.84,;.85,5.35,;-.64,4.95,;1.94,4.26,;3.47,4.42,;4.09,3.02,;2.95,1.99,;2.95,.45,;1.62,-.32,;.28,.45,;.28,-1.09,;.28,1.99,;-1.05,2.76,;-2.39,1.99,;-2.39,.45,;-3.72,-.32,;-3.72,1.22,;-5.05,.45,;-6.39,-.32,;-6.39,-1.86,;-7.72,-2.63,;-9.05,-1.86,;-10.39,-2.63,;-10.39,-4.17,;-11.72,-3.4,;-11.72,-1.86,;-9.05,-4.94,;-7.72,-4.17,;-11.16,-5.51,;-12.7,-5.51,;-10.39,-6.84,;-5.05,-2.63,;-5.82,-3.97,;-4.28,-3.97,;-3.72,-1.86,;-2.39,-2.63,;-1.05,-1.86,;-1.05,-.32,;-1.05,1.22,;1.62,2.76,;4.28,1.22,;5.62,1.99,;6.95,1.22,;8.28,1.99,;6.95,2.76,;9.05,3.32,;10.59,3.32,;11.36,1.99,;12.7,1.22,;12.7,2.76,;10.59,.65,;9.05,.65,)| Show InChI InChI=1S/C46H72FNO4/c1-30(2)32-13-20-46(48-28-27-45(52)24-21-40(5,51)22-25-45)26-23-42(7)34(37(32)46)9-10-36-41(6)16-14-33(39(3,4)35(41)15-17-43(36,42)8)31-11-18-44(29-47,19-12-31)38(49)50/h11,14,32,34-37,48,51-52H,1,9-10,12-13,15-29H2,2-8H3,(H,49,50)/t32-,34+,35-,36+,37+,40-,41-,42+,43+,44-,45+,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.65	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372403 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCC1(O)CCN(CC1)C(C)=O |r,t:18,20| Show InChI InChI=1S/C46H71FN2O4/c1-30(2)33-13-20-46(48-26-23-45(53)24-27-49(28-25-45)31(3)50)22-21-42(7)35(38(33)46)9-10-37-41(6)16-14-34(40(4,5)36(41)15-17-43(37,42)8)32-11-18-44(29-47,19-12-32)39(51)52/h11,14,33,35-38,48,53H,1,9-10,12-13,15-29H2,2-8H3,(H,51,52)/t33-,35+,36-,37+,38+,41-,42+,43+,44-,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.73	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372339 (Preparation of diastereomeric (1R)- and (1S)-1-(fl...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCC(CC1)S(C)(=O)=O |r,w:23.23,t:18,20| Show InChI InChI=1S/C45H71FN2O4S/c1-30(2)33-13-22-45(47-25-28-48-26-16-32(17-27-48)53(8,51)52)24-23-42(6)35(38(33)45)9-10-37-41(5)18-14-34(40(3,4)36(41)15-19-43(37,42)7)31-11-20-44(29-46,21-12-31)39(49)50/h11,14,32-33,35-38,47H,1,9-10,12-13,15-29H2,2-8H3,(H,49,50)/t33-,35+,36-,37+,38+,41-,42+,43+,44?,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.75	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] (Human immunodeficiency virus)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] (Human immunodeficiency virus)	BDBM104102 ((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@@H](C)CC)S(=O)(=O)c1ccc2ncsc2c1 |r| Show InChI InChI=1S/C30H42N4O5S2/c1-6-20(3)17-34(41(38,39)24-13-14-25-28(16-24)40-19-31-25)18-27(36)26(15-23-11-9-8-10-12-23)33-30(37)29(21(4)7-2)32-22(5)35/h8-14,16,19-21,26-27,29,36H,6-7,15,17-18H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-,26-,27+,29?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372342 (Preparation of (R)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCC(CC1)S(C)(=O)=O |r,t:18,20| Show InChI InChI=1S/C45H71FN2O4S/c1-30(2)33-13-22-45(47-25-28-48-26-16-32(17-27-48)53(8,51)52)24-23-42(6)35(38(33)45)9-10-37-41(5)18-14-34(40(3,4)36(41)15-19-43(37,42)7)31-11-20-44(29-46,21-12-31)39(49)50/h11,14,32-33,35-38,47H,1,9-10,12-13,15-29H2,2-8H3,(H,49,50)/t33-,35+,36-,37+,38+,41-,42+,43+,44+,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.93	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372350 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCN(CC1)S(C)(=O)=O |r,t:18,20| Show InChI InChI=1S/C44H70FN3O4S/c1-30(2)32-13-20-44(46-23-24-47-25-27-48(28-26-47)53(8,51)52)22-21-41(6)34(37(32)44)9-10-36-40(5)16-14-33(39(3,4)35(40)15-17-42(36,41)7)31-11-18-43(29-45,19-12-31)38(49)50/h11,14,32,34-37,46H,1,9-10,12-13,15-29H2,2-8H3,(H,49,50)/t32-,34+,35-,36+,37+,40-,41+,42+,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.95	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372345 (US10245275, Example 2a) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C43H67FN2O4S/c1-29(2)31-12-19-43(45-22-23-46-24-26-51(49,50)27-25-46)21-20-40(6)33(36(31)43)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-44,18-11-30)37(47)48/h10,13,31,33-36,45H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.98	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372417 (US10245275, Compound B) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C43H68N2O4S/c1-30(2)32-13-20-43(44-23-24-45-25-27-50(47,48)28-26-45)22-21-41(7)34(37(32)43)9-10-36-40(6)18-14-33(31-11-16-39(5,17-12-31)49-29-46)38(3,4)35(40)15-19-42(36,41)8/h11,14,29,32,34-37,44H,1,9-10,12-13,15-28H2,2-8H3/t32-,34+,35-,36+,37+,39?,40-,41+,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372418 (US10245275, Compound 2) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(CF)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C43H67FN2O4S/c1-30(2)32-12-19-43(45-22-23-46-24-26-51(48,49)27-25-46)21-20-40(6)34(37(32)43)8-9-36-39(5)15-13-33(38(3,4)35(39)14-16-41(36,40)7)31-10-17-42(28-44,18-11-31)50-29-47/h10,13,29,32,34-37,45H,1,8-9,11-12,14-28H2,2-7H3/t32-,34+,35-,36+,37+,39-,40+,41+,42?,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372419 (US10245275, Compound 2a) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C43H67FN2O4S/c1-30(2)32-12-19-43(45-22-23-46-24-26-51(48,49)27-25-46)21-20-40(6)34(37(32)43)8-9-36-39(5)15-13-33(38(3,4)35(39)14-16-41(36,40)7)31-10-17-42(28-44,18-11-31)50-29-47/h10,13,29,32,34-37,45H,1,8-9,11-12,14-28H2,2-7H3/t32-,34+,35-,36+,37+,39-,40+,41+,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372400 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCC1(O)CCOCC1 |r,t:18,20| Show InChI InChI=1S/C44H68FNO4/c1-29(2)31-12-19-44(46-25-22-43(49)23-26-50-27-24-43)21-20-40(6)33(36(31)44)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-45,18-11-30)37(47)48/h10,13,31,33-36,46,49H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.01	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372404 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCC[C@@]1(O)CC[C@@](C)(O)CC1 |r,wU:34.36,14.13,39.44,37.41,15.15,6.45,23.28,47.53,43.49,wD:11.11,3.2,9.9,23.23,43.48,47.54,t:18,20,(1.25,6.84,;.85,5.35,;-.64,4.95,;1.94,4.26,;3.47,4.42,;4.09,3.02,;2.95,1.99,;2.95,.45,;1.62,-.32,;.28,.45,;.28,-1.09,;.28,1.99,;-1.05,2.76,;-2.39,1.99,;-2.39,.45,;-3.72,-.32,;-3.72,1.22,;-5.05,.45,;-6.39,-.32,;-6.39,-1.86,;-7.72,-2.63,;-9.05,-1.86,;-10.39,-2.63,;-10.39,-4.17,;-11.72,-3.4,;-11.72,-1.86,;-9.05,-4.94,;-7.72,-4.17,;-11.16,-5.51,;-12.7,-5.51,;-10.39,-6.84,;-5.05,-2.63,;-5.82,-3.97,;-4.28,-3.97,;-3.72,-1.86,;-2.39,-2.63,;-1.05,-1.86,;-1.05,-.32,;-1.05,1.22,;1.62,2.76,;4.28,1.22,;5.62,1.99,;6.95,1.22,;8.28,1.99,;6.95,2.76,;9.05,.65,;10.59,.65,;11.36,1.99,;12.7,2.76,;12.7,1.22,;10.59,3.32,;9.05,3.32,)| Show InChI InChI=1S/C46H72FNO4/c1-30(2)32-13-20-46(48-28-27-45(52)24-21-40(5,51)22-25-45)26-23-42(7)34(37(32)46)9-10-36-41(6)16-14-33(39(3,4)35(41)15-17-43(36,42)8)31-11-18-44(29-47,19-12-31)38(49)50/h11,14,32,34-37,48,51-52H,1,9-10,12-13,15-29H2,2-8H3,(H,49,50)/t32-,34+,35-,36+,37+,40-,41-,42+,43+,44-,45-,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372341 (US10245275, Example 1a) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCC(CC1)S(C)(=O)=O |r,t:18,20| Show InChI InChI=1S/C45H71FN2O4S/c1-30(2)33-13-22-45(47-25-28-48-26-16-32(17-27-48)53(8,51)52)24-23-42(6)35(38(33)45)9-10-37-41(5)18-14-34(40(3,4)36(41)15-19-43(37,42)7)31-11-20-44(29-46,21-12-31)39(49)50/h11,14,32-33,35-38,47H,1,9-10,12-13,15-29H2,2-8H3,(H,49,50)/t33-,35+,36-,37+,38+,41-,42+,43+,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.25	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
HIV WT-A pol protein (wild-type clade A) (Human immunodeficiency virus)	BDBM104102 ((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@@H](C)CC)S(=O)(=O)c1ccc2ncsc2c1 |r| Show InChI InChI=1S/C30H42N4O5S2/c1-6-20(3)17-34(41(38,39)24-13-14-25-28(16-24)40-19-31-25)18-27(36)26(15-23-11-9-8-10-12-23)33-30(37)29(21(4)7-2)32-22(5)35/h8-14,16,19-21,26-27,29,36H,6-7,15,17-18H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-,26-,27+,29?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372396 (Preparation of (1S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCC(O)CN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C44H69FN2O5S/c1-29(2)32-12-19-44(46-26-31(48)27-47-22-24-53(51,52)25-23-47)21-20-41(6)34(37(32)44)8-9-36-40(5)15-13-33(39(3,4)35(40)14-16-42(36,41)7)30-10-17-43(28-45,18-11-30)38(49)50/h10,13,31-32,34-37,46,48H,1,8-9,11-12,14-28H2,2-7H3,(H,49,50)/t31?,32-,34+,35-,36+,37+,40-,41+,42+,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.33	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
HIV WT-A pol protein (wild-type clade A) (Human immunodeficiency virus)	BDBM104107 ((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H43N3O6S/c1-7-21(4)28(30-22(5)33)29(35)31-26(17-23-11-9-8-10-12-23)27(34)19-32(18-20(2)3)39(36,37)25-15-13-24(38-6)14-16-25/h8-16,20-21,26-28,34H,7,17-19H2,1-6H3,(H,30,33)(H,31,35)/t21-,26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372364 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCCC1=O |r,t:18,20| Show InChI InChI=1S/C43H65FN2O3/c1-28(2)30-14-21-43(45-24-26-46-25-8-9-35(46)47)23-22-40(6)32(36(30)43)10-11-34-39(5)17-15-31(38(3,4)33(39)16-18-41(34,40)7)29-12-19-42(27-44,20-13-29)37(48)49/h12,15,30,32-34,36,45H,1,8-11,13-14,16-27H2,2-7H3,(H,48,49)/t30-,32+,33-,34+,36+,39-,40+,41+,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.53	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372402 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCC1(O)CCN(CC1)S(C)(=O)=O |r,t:18,20| Show InChI InChI=1S/C45H71FN2O5S/c1-30(2)32-13-20-45(47-26-23-44(51)24-27-48(28-25-44)54(8,52)53)22-21-41(6)34(37(32)45)9-10-36-40(5)16-14-33(39(3,4)35(40)15-17-42(36,41)7)31-11-18-43(29-46,19-12-31)38(49)50/h11,14,32,34-37,47,51H,1,9-10,12-13,15-29H2,2-8H3,(H,49,50)/t32-,34+,35-,36+,37+,40-,41+,42+,43-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.56	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
HIV WT-A pol protein (wild-type clade A) (Human immunodeficiency virus)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-892] (Human immunodeficiency virus)	BDBM104102 ((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@@H](C)CC)S(=O)(=O)c1ccc2ncsc2c1 |r| Show InChI InChI=1S/C30H42N4O5S2/c1-6-20(3)17-34(41(38,39)24-13-14-25-28(16-24)40-19-31-25)18-27(36)26(15-23-11-9-8-10-12-23)33-30(37)29(21(4)7-2)32-22(5)35/h8-14,16,19-21,26-27,29,36H,6-7,15,17-18H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-,26-,27+,29?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372375 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCC(=O)N1CCC(C)(O)CC1 |r,t:18,20| Show InChI InChI=1S/C45H69FN2O4/c1-29(2)31-13-20-45(47-27-36(49)48-25-23-40(5,52)24-26-48)22-21-42(7)33(37(31)45)9-10-35-41(6)16-14-32(39(3,4)34(41)15-17-43(35,42)8)30-11-18-44(28-46,19-12-30)38(50)51/h11,14,31,33-35,37,47,52H,1,9-10,12-13,15-28H2,2-8H3,(H,50,51)/t31-,33+,34-,35+,37+,41-,42+,43+,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.98	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372420 (US10245275, Compound 2b) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C43H67FN2O4S/c1-30(2)32-12-19-43(45-22-23-46-24-26-51(48,49)27-25-46)21-20-40(6)34(37(32)43)8-9-36-39(5)15-13-33(38(3,4)35(39)14-16-41(36,40)7)31-10-17-42(28-44,18-11-31)50-29-47/h10,13,29,32,34-37,45H,1,8-9,11-12,14-28H2,2-7H3/t32-,34+,35-,36+,37+,39-,40+,41+,42+,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-892] (Human immunodeficiency virus)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
HIV WT-C pol protein (wild-type clade C) (Human immunodeficiency virus)	BDBM104107 ((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H43N3O6S/c1-7-21(4)28(30-22(5)33)29(35)31-26(17-23-11-9-8-10-12-23)27(34)19-32(18-20(2)3)39(36,37)25-15-13-24(38-6)14-16-25/h8-16,20-21,26-28,34H,7,17-19H2,1-6H3,(H,30,33)(H,31,35)/t21-,26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372410 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCC1(O)CCC(CC1)OS(C)(=O)=O |r,wU:34.36,14.13,39.44,37.41,15.15,6.45,23.28,wD:11.11,3.2,9.9,23.23,t:18,20,(-.01,6.84,;-.41,5.35,;-1.9,4.95,;.68,4.26,;2.21,4.42,;2.84,3.02,;1.69,1.99,;1.69,.45,;.36,-.32,;-.98,.45,;-.98,-1.09,;-.98,1.99,;-2.31,2.76,;-3.64,1.99,;-3.64,.45,;-4.98,-.32,;-4.98,1.22,;-6.31,.45,;-7.64,-.32,;-7.64,-1.86,;-8.98,-2.63,;-10.31,-1.86,;-11.65,-2.63,;-11.65,-4.17,;-12.98,-3.4,;-12.98,-1.86,;-10.31,-4.94,;-8.98,-4.17,;-12.42,-5.51,;-13.96,-5.51,;-11.65,-6.84,;-6.31,-2.63,;-7.08,-3.97,;-5.54,-3.97,;-4.98,-1.86,;-3.64,-2.63,;-2.31,-1.86,;-2.31,-.32,;-2.31,1.22,;.36,2.76,;3.02,1.22,;4.36,1.99,;5.69,1.22,;7.03,1.99,;5.69,2.76,;7.8,.65,;9.34,.65,;10.11,1.99,;9.34,3.32,;7.8,3.32,;11.65,1.99,;12.42,.65,;13.96,.65,;12.42,-.89,;11.08,-.12,)| Show InChI InChI=1S/C46H72FNO6S/c1-30(2)33-15-24-46(48-28-27-45(51)22-13-32(14-23-45)54-55(8,52)53)26-25-42(6)35(38(33)46)9-10-37-41(5)18-16-34(40(3,4)36(41)17-19-43(37,42)7)31-11-20-44(29-47,21-12-31)39(49)50/h11,16,32-33,35-38,48,51H,1,9-10,12-15,17-29H2,2-8H3,(H,49,50)/t32?,33-,35+,36-,37+,38+,41-,42+,43+,44-,45?,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.15	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372388 (Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCS(=O)(=O)CCN1CCS(=O)(=O)CC1 |r,t:18,20| Show InChI InChI=1S/C45H71FN2O6S2/c1-31(2)33-12-19-45(47-22-26-55(51,52)27-23-48-24-28-56(53,54)29-25-48)21-20-42(6)35(38(33)45)8-9-37-41(5)15-13-34(40(3,4)36(41)14-16-43(37,42)7)32-10-17-44(30-46,18-11-32)39(49)50/h10,13,33,35-38,47H,1,8-9,11-12,14-30H2,2-7H3,(H,49,50)/t33-,35+,36-,37+,38+,41-,42+,43+,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.35	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
HIV WT-C pol protein (wild-type clade C) (Human immunodeficiency virus)	BDBM104102 ((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...) Show SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@@H](C)CC)S(=O)(=O)c1ccc2ncsc2c1 |r| Show InChI InChI=1S/C30H42N4O5S2/c1-6-20(3)17-34(41(38,39)24-13-14-25-28(16-24)40-19-31-25)18-27(36)26(15-23-11-9-8-10-12-23)33-30(37)29(21(4)7-2)32-22(5)35/h8-14,16,19-21,26-27,29,36H,6-7,15,17-18H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-,26-,27+,29?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-892] (Human immunodeficiency virus)	BDBM104107 ((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H43N3O6S/c1-7-21(4)28(30-22(5)33)29(35)31-26(17-23-11-9-8-10-12-23)27(34)19-32(18-20(2)3)39(36,37)25-15-13-24(38-6)14-16-25/h8-16,20-21,26-28,34H,7,17-19H2,1-6H3,(H,30,33)(H,31,35)/t21-,26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair
HIV WT-C pol protein (wild-type clade C) (Human immunodeficiency virus)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Massachusetts Institute of Technology					Assay Description Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...				ACS Chem Biol 8: 2433-41 (2013) Article DOI: 10.1021/cb400468c BindingDB Entry DOI: 10.7270/Q2R2101Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372416 (US10245275, Compound A) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(F)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCC(CC1)S(C)(=O)=O |r,t:18,20| Show InChI InChI=1S/C44H69FN2O4S/c1-30(2)33-13-20-43(46-25-28-47-26-16-32(17-27-47)52(8,49)50)24-23-41(6)35(38(33)43)9-10-37-40(5)18-14-34(31-11-21-44(45,22-12-31)51-29-48)39(3,4)36(40)15-19-42(37,41)7/h11,14,29,32-33,35-38,46H,1,9-10,12-13,15-28H2,2-8H3/t33-,35+,36-,37+,38+,40-,41+,42+,43-,44?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372347 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCOCC1 |r,t:18,20| Show InChI InChI=1S/C43H67FN2O3/c1-29(2)31-12-19-43(45-22-23-46-24-26-49-27-25-46)21-20-40(6)33(36(31)43)8-9-35-39(5)15-13-32(38(3,4)34(39)14-16-41(35,40)7)30-10-17-42(28-44,18-11-30)37(47)48/h10,13,31,33-36,45H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.53	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,Q496K] (Human immunodeficiency virus type 1)	BDBM293290 (US10106504, Example 27) Show SMILES Cc1nc(C)c(-c2ccc3CN(Cc4ccccc4Cl)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C38H41ClN2O4/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	5	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 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM372412 (Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCOC1=O |r,t:18,20| Show InChI InChI=1S/C42H63FN2O4/c1-27(2)29-12-19-42(44-22-23-45-24-25-49-36(45)48)21-20-39(6)31(34(29)42)8-9-33-38(5)15-13-30(37(3,4)32(38)14-16-40(33,39)7)28-10-17-41(26-43,18-11-28)35(46)47/h10,13,29,31-34,44H,1,8-9,11-12,14-26H2,2-7H3,(H,46,47)/t29-,31+,32-,33+,34+,38-,39+,40+,41-,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media suppl...				Bioorg Med Chem Lett 15: 1435-40 (2005) BindingDB Entry DOI: 10.7270/Q2MK6G6T
					More data for this Ligand-Target Pair

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