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Compile Data Set for Download or QSAR

Found 79 hits of ec50 for UniProtKB: P12497   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372411
PNG
(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
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n/an/an/an/a 1.21n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.29n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.34n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.35n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.41n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.48n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.57n/an/an/an/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...)		BDBM372349
PNG
(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
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n/an/an/an/a 1.60n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.65n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.73n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.75n/an/an/an/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...)		BDBM372342
PNG
(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
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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
PNG
(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
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n/an/an/an/a 1.95n/an/an/an/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
PNG
(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
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n/an/an/an/a 1.98n/an/an/an/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
PNG
(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
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n/an/an/an/a 2n/an/an/an/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
PNG
(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
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n/an/an/an/a 2n/an/an/an/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
PNG
(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
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n/an/an/an/a 2n/an/an/an/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
PNG
(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
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n/an/an/an/a 2.01n/an/an/an/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
PNG
(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
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n/an/an/an/a 2.10n/an/an/an/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
PNG
(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
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n/an/an/an/a 2.25n/an/an/an/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...)		BDBM372396
PNG
(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
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n/an/an/an/a 2.33n/an/an/an/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...)		BDBM372364
PNG
(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
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n/an/an/an/a 2.53n/an/an/an/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
PNG
(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
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n/an/an/an/a 2.56n/an/an/an/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...)		BDBM372375
PNG
(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
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n/an/an/an/a 2.98n/an/an/an/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
PNG
(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
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n/an/an/an/a 3n/an/an/an/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...)		BDBM372410
PNG
(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

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UniChem
US Patent
n/an/an/an/a 3.15n/an/an/an/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
PNG
(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
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UniProtKB/SwissProt

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n/an/an/an/a 3.35n/an/an/an/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...)		BDBM372416
PNG
(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
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n/an/an/an/a 4n/an/an/an/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
PNG
(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
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n/an/an/an/a 4.53n/an/an/an/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...)		BDBM372412
PNG
(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
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UniProtKB/SwissProt

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n/an/an/an/a 5.30n/an/an/an/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...)		BDBM372415
PNG
(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)NCCN1CCN(C(C)=O)C(C)(C)C1=O |r,t:18,20|
Show InChI InChI=1S/C47H72FN3O4/c1-30(2)33-15-22-47(49-25-26-50-27-28-51(31(3)52)42(6,7)39(50)53)24-23-44(9)35(38(33)47)11-12-37-43(8)18-16-34(41(4,5)36(43)17-19-45(37,44)10)32-13-20-46(29-48,21-14-32)40(54)55/h13,16,33,35-38,49H,1,11-12,14-15,17-29H2,2-10H3,(H,54,55)/t33-,35+,36-,37+,38+,43-,44+,45+,46-,47-/m0/s1
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n/an/an/an/a 5.77n/an/an/an/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...)		BDBM372394
PNG
(Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...)
Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6][C@@]2([#6]-[#6][C@]3([#6])[#6@H](-[#6]-[#6]-[#6@@H]4[C@@]5([#6])[#6]-[#6]=[#6](-[#6]-6=[#6]-[#6][C@@]([#6]F)([#6]-[#6]-6)[#6](-[#8])=O)C([#6])([#6])[#6@@H]5-[#6]-[#6][C@@]34[#6])-[#6@@H]-12)[#7]-[#6]\[#6]=[#6](/[#6]-1-[#6]-[#6]1)-[#6]-1-[#6]-[#6]-1 |r,t:18,20|
Show InChI InChI=1S/C46H68FNO2/c1-29(2)33-16-24-46(48-27-19-34(30-8-9-30)31-10-11-31)26-25-43(6)36(39(33)46)12-13-38-42(5)20-17-35(41(3,4)37(42)18-21-44(38,43)7)32-14-22-45(28-47,23-15-32)40(49)50/h14,17,19,30-31,33,36-39,48H,1,8-13,15-16,18,20-28H2,2-7H3,(H,49,50)/t33-,36+,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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n/an/an/an/a 11n/an/an/an/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...)		BDBM372357
PNG
(Preparation of (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...)
Show SMILES CCOC(=O)C1(CCN(CCN[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)CC1)C(=O)OCC |r,t:25,27|
Show InChI InChI=1S/C50H77FN2O6/c1-10-58-42(56)49(43(57)59-11-2)26-29-53(30-27-49)31-28-52-50-23-16-35(33(3)4)40(50)37-12-13-39-45(7)19-17-36(34-14-21-48(32-51,22-15-34)41(54)55)44(5,6)38(45)18-20-47(39,9)46(37,8)24-25-50/h14,17,35,37-40,52H,3,10-13,15-16,18-32H2,1-2,4-9H3,(H,54,55)/t35-,37+,38-,39+,40+,45-,46+,47+,48+,50-/m0/s1
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n/an/an/an/a 18.8n/an/an/an/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...)		BDBM372361
PNG
(Preparation of 1-(2-(((1R,3aS,5aR,5bR,7aR,11aS,11b...)
Show SMILES CCOC(=O)C1(CCN(CCN[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)CC1)C(O)=O |r,t:25,27|
Show InChI InChI=1S/C48H73FN2O6/c1-9-57-41(56)47(40(54)55)24-27-51(28-25-47)29-26-50-48-21-14-33(31(2)3)38(48)35-10-11-37-43(6)17-15-34(32-12-19-46(30-49,20-13-32)39(52)53)42(4,5)36(43)16-18-45(37,8)44(35,7)22-23-48/h12,15,33,35-38,50H,2,9-11,13-14,16-30H2,1,3-8H3,(H,52,53)(H,54,55)/t33-,35+,36-,37+,38+,43-,44+,45+,46+,48-/m0/s1
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n/an/an/an/a 19.4n/an/an/an/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...)		BDBM372362
PNG
(Preparation of 4-(2-(((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)NCCN1CCSCC1C(O)=O |r,w:48.55,t:18,20|
Show InChI InChI=1S/C44H67FN2O4S/c1-28(2)30-12-19-44(46-22-23-47-24-25-52-26-33(47)37(48)49)21-20-41(6)32(36(30)44)8-9-35-40(5)15-13-31(39(3,4)34(40)14-16-42(35,41)7)29-10-17-43(27-45,18-11-29)38(50)51/h10,13,30,32-36,46H,1,8-9,11-12,14-27H2,2-7H3,(H,48,49)(H,50,51)/t30-,32+,33?,34-,35+,36+,40-,41+,42+,43+,44-/m0/s1
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n/an/an/an/a 24.3n/an/an/an/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...)		BDBM372384
PNG
(US10245275, Example 39 | US10245275, Example 40)
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)NC(CN)C(F)(F)F |r,t:18,20|
Show InChI InChI=1S/C40H60F4N2O2/c1-24(2)26-12-19-39(46-31(22-45)40(42,43)44)21-20-36(6)28(32(26)39)8-9-30-35(5)15-13-27(34(3,4)29(35)14-16-37(30,36)7)25-10-17-38(23-41,18-11-25)33(47)48/h10,13,26,28-32,46H,1,8-9,11-12,14-23,45H2,2-7H3,(H,47,48)/t26-,28+,29-,30+,31?,32+,35-,36+,37+,38-,39-/m0/s1
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n/an/an/an/a 47.3n/an/an/an/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...)		BDBM372370
PNG
(Preparation of (1S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11...)
Show SMILES CC1CN(CCN[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)CC(C)S1(=O)=O |r,t:20,22|
Show InChI InChI=1S/C45H71FN2O4S/c1-30(2)34-14-21-45(47-24-25-48-26-31(3)53(50,51)32(4)27-48)23-22-42(8)36(39(34)45)10-11-38-41(7)17-15-35(40(5,6)37(41)16-18-43(38,42)9)33-12-19-44(28-46,20-13-33)52-29-49/h12,15,29,31-32,34,36-39,47H,1,10-11,13-14,16-28H2,2-9H3/t31?,32?,34-,36+,37-,38+,39+,41-,42+,43+,44-,45-/m0/s1
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n/an/an/an/a<50n/an/an/an/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...)		BDBM372371
PNG
(Preparation of (1R)-1-(fluoromethyl)-4-((1R,3aS,5a...)
Show SMILES CC1CN(CCN[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)CCS(=O)(=O)C1 |r,t:20,22|
Show InChI InChI=1S/C45H71FN2O4S/c1-31(2)34-13-20-45(47-23-24-48-25-26-53(50,51)28-32(3)27-48)22-21-42(7)36(39(34)45)9-10-38-41(6)16-14-35(40(4,5)37(41)15-17-43(38,42)8)33-11-18-44(29-46,19-12-33)52-30-49/h11,14,30,32,34,36-39,47H,1,9-10,12-13,15-29H2,2-8H3/t32?,34-,36+,37-,38+,39+,41-,42+,43+,44+,45-/m0/s1
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n/an/an/an/a<50n/an/an/an/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...)		BDBM372372
PNG
(Preparation of (1S)-1-(fluoromethyl)-4-((1R,3aS,5a...)
Show SMILES CC1CN(CCN[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](CF)(CC6)OC=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)CCS(=O)(=O)C1 |r,t:20,22|
Show InChI InChI=1S/C45H71FN2O4S/c1-31(2)34-13-20-45(47-23-24-48-25-26-53(50,51)28-32(3)27-48)22-21-42(7)36(39(34)45)9-10-38-41(6)16-14-35(40(4,5)37(41)15-17-43(38,42)8)33-11-18-44(29-46,19-12-33)52-30-49/h11,14,30,32,34,36-39,47H,1,9-10,12-13,15-29H2,2-8H3/t32?,34-,36+,37-,38+,39+,41-,42+,43+,44-,45-/m0/s1
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n/an/an/an/a<50n/an/an/an/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...)		BDBM372373
PNG
(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)=O |r,t:18,20|
Show InChI InChI=1S/C39H58FNO4/c1-24(2)26-12-19-39(41-22-31(42)43)21-20-36(6)28(32(26)39)8-9-30-35(5)15-13-27(34(3,4)29(35)14-16-37(30,36)7)25-10-17-38(23-40,18-11-25)33(44)45/h10,13,26,28-30,32,41H,1,8-9,11-12,14-23H2,2-7H3,(H,42,43)(H,44,45)/t26-,28+,29-,30+,32+,35-,36+,37+,38-,39-/m0/s1
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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...)		BDBM372374
PNG
(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)CC1 |r,t:18,20|
Show InChI InChI=1S/C43H65FN2O5S/c1-28(2)30-12-19-43(45-26-35(47)46-22-24-52(50,51)25-23-46)21-20-40(6)32(36(30)43)8-9-34-39(5)15-13-31(38(3,4)33(39)14-16-41(34,40)7)29-10-17-42(27-44,18-11-29)37(48)49/h10,13,30,32-34,36,45H,1,8-9,11-12,14-27H2,2-7H3,(H,48,49)/t30-,32+,33-,34+,36+,39-,40+,41+,42-,43-/m0/s1
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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...)		BDBM372376
PNG
(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(CC1)S(C)(=O)=O |r,t:18,20|
Show InChI InChI=1S/C45H69FN2O5S/c1-29(2)32-13-22-45(47-27-37(49)48-25-16-31(17-26-48)54(8,52)53)24-23-42(6)34(38(32)45)9-10-36-41(5)18-14-33(40(3,4)35(41)15-19-43(36,42)7)30-11-20-44(28-46,21-12-30)39(50)51/h11,14,31-32,34-36,38,47H,1,9-10,12-13,15-28H2,2-8H3,(H,50,51)/t32-,34+,35-,36+,38+,41-,42+,43+,44-,45-/m0/s1
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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...)		BDBM372377
PNG
(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)N1CCOCC1 |r,t:18,20|
Show InChI InChI=1S/C43H65FN2O4/c1-28(2)30-12-19-43(45-26-35(47)46-22-24-50-25-23-46)21-20-40(6)32(36(30)43)8-9-34-39(5)15-13-31(38(3,4)33(39)14-16-41(34,40)7)29-10-17-42(27-44,18-11-29)37(48)49/h10,13,30,32-34,36,45H,1,8-9,11-12,14-27H2,2-7H3,(H,48,49)/t30-,32+,33-,34+,36+,39-,40+,41+,42-,43-/m0/s1
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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...)		BDBM372378
PNG
(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)N1CCN(CC1)S(C)(=O)=O |r,t:18,20|
Show InChI InChI=1S/C44H68FN3O5S/c1-29(2)31-13-20-44(46-27-36(49)47-23-25-48(26-24-47)54(8,52)53)22-21-41(6)33(37(31)44)9-10-35-40(5)16-14-32(39(3,4)34(40)15-17-42(35,41)7)30-11-18-43(28-45,19-12-30)38(50)51/h11,14,31,33-35,37,46H,1,9-10,12-13,15-28H2,2-8H3,(H,50,51)/t31-,33+,34-,35+,37+,40-,41+,42+,43-,44-/m0/s1
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n/an/an/an/a<50n/an/an/an/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...)		BDBM372379
PNG
(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)N1CCCS(=O)(=O)CC1 |r,t:18,20|
Show InChI InChI=1S/C44H67FN2O5S/c1-29(2)31-13-20-44(46-27-36(48)47-23-8-25-53(51,52)26-24-47)22-21-41(6)33(37(31)44)9-10-35-40(5)16-14-32(39(3,4)34(40)15-17-42(35,41)7)30-11-18-43(28-45,19-12-30)38(49)50/h11,14,31,33-35,37,46H,1,8-10,12-13,15-28H2,2-7H3,(H,49,50)/t31-,33+,34-,35+,37+,40-,41+,42+,43-,44-/m0/s1
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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...)		BDBM372381
PNG
(Preparation of (1S)-1-(fluoromethyl)-4-((1R,3aS,5a...)
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(C1)S(C)(=O)=O |r,t:18,20|
Show InChI InChI=1S/C44H67FN2O5S/c1-28(2)31-13-21-44(46-25-36(48)47-24-16-30(26-47)53(8,51)52)23-22-41(6)33(37(31)44)9-10-35-40(5)17-14-32(39(3,4)34(40)15-18-42(35,41)7)29-11-19-43(27-45,20-12-29)38(49)50/h11,14,30-31,33-35,37,46H,1,9-10,12-13,15-27H2,2-8H3,(H,49,50)/t30?,31-,33+,34-,35+,37+,40-,41+,42+,43-,44-/m0/s1
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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...)		BDBM372382
PNG
(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)N1C[C@@H]2C[C@H]1CS2(=O)=O |r,t:18,20,TLB:42:44:47:49.50|
Show InChI InChI=1S/C44H65FN2O5S/c1-27(2)31-12-19-44(46-23-36(48)47-24-30-22-29(47)25-53(30,51)52)21-20-41(6)33(37(31)44)8-9-35-40(5)15-13-32(39(3,4)34(40)14-16-42(35,41)7)28-10-17-43(26-45,18-11-28)38(49)50/h10,13,29-31,33-35,37,46H,1,8-9,11-12,14-26H2,2-7H3,(H,49,50)/t29-,30-,31-,33+,34-,35+,37+,40-,41+,42+,43-,44-/m0/s1
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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...)		BDBM372383
PNG
(Preparation of (R)-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)C(=O)NCCN1CCS(=O)(=O)CC1 |r,t:18,20|
Show InChI InChI=1S/C44H67FN2O5S/c1-29(2)31-12-19-44(37(48)46-22-23-47-24-26-53(51,52)27-25-47)21-20-41(6)33(36(31)44)8-9-35-40(5)15-13-32(39(3,4)34(40)14-16-42(35,41)7)30-10-17-43(28-45,18-11-30)38(49)50/h10,13,31,33-36H,1,8-9,11-12,14-28H2,2-7H3,(H,46,48)(H,49,50)/t31-,33+,34-,35+,36+,40-,41+,42+,43+,44-/m0/s1
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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...)		BDBM372386
PNG
(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)NC(CN1CCS(=O)(=O)CC1)C(F)(F)F |r,t:18,20|
Show InChI InChI=1S/C44H66F4N2O4S/c1-28(2)30-12-19-43(49-35(44(46,47)48)26-50-22-24-55(53,54)25-23-50)21-20-40(6)32(36(30)43)8-9-34-39(5)15-13-31(38(3,4)33(39)14-16-41(34,40)7)29-10-17-42(27-45,18-11-29)37(51)52/h10,13,30,32-36,49H,1,8-9,11-12,14-27H2,2-7H3,(H,51,52)/t30-,32+,33-,34+,35?,36+,39-,40+,41+,42-,43-/m0/s1
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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...)		BDBM372386
PNG
(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)NC(CN1CCS(=O)(=O)CC1)C(F)(F)F |r,t:18,20|
Show InChI InChI=1S/C44H66F4N2O4S/c1-28(2)30-12-19-43(49-35(44(46,47)48)26-50-22-24-55(53,54)25-23-50)21-20-40(6)32(36(30)43)8-9-34-39(5)15-13-31(38(3,4)33(39)14-16-41(34,40)7)29-10-17-42(27-45,18-11-29)37(51)52/h10,13,30,32-36,49H,1,8-9,11-12,14-27H2,2-7H3,(H,51,52)/t30-,32+,33-,34+,35?,36+,39-,40+,41+,42-,43-/m0/s1
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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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