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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 [A364V]


(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 20.1n/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 [A364V]


(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 22.2n/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 [A364V]


(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 29.9n/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 [A364V]


(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 39.2n/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 [A364V]


(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 43.1n/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372356
PNG
(Preparation of (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...)
Show SMILES CC(=C)[C@@H]1CC[C@]2(CN(CCCN3CCS(=O)(=O)CC3)C(C)=O)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 |r,t:35,37|
Show InChI InChI=1S/C47H73FN2O5S/c1-32(2)35-14-21-47(31-50(33(3)51)25-9-24-49-26-28-56(54,55)29-27-49)23-22-44(7)37(40(35)47)10-11-39-43(6)17-15-36(42(4,5)38(43)16-18-45(39,44)8)34-12-19-46(30-48,20-13-34)41(52)53/h12,15,35,37-40H,1,9-11,13-14,16-31H2,2-8H3,(H,52,53)/t35-,37+,38-,39+,40+,43-,44+,45+,46+,47+/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372358
PNG
(Preparation of (1R)-4-((1R,3aS,5aR,5bR,7aR,7aR,11a...)
Show SMILES CCOC(=O)C1CS(=O)(=O)CCN1CCN[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC=C(C5=CC[C@](CF)(CC5)C(O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r,w:5.4,t:30,32|
Show InChI InChI=1S/C46H71FN2O6S/c1-9-55-39(50)35-28-56(53,54)27-26-49(35)25-24-48-46-21-14-32(30(2)3)38(46)34-10-11-37-42(6)17-15-33(31-12-19-45(29-47,20-13-31)40(51)52)41(4,5)36(42)16-18-44(37,8)43(34,7)22-23-46/h12,15,32,34-38,48H,2,9-11,13-14,16-29H2,1,3-8H3,(H,51,52)/t32-,34+,35?,36-,37+,38+,42-,43+,44+,45+,46-/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372358
PNG
(Preparation of (1R)-4-((1R,3aS,5aR,5bR,7aR,7aR,11a...)
Show SMILES CCOC(=O)C1CS(=O)(=O)CCN1CCN[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC=C(C5=CC[C@](CF)(CC5)C(O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r,w:5.4,t:30,32|
Show InChI InChI=1S/C46H71FN2O6S/c1-9-55-39(50)35-28-56(53,54)27-26-49(35)25-24-48-46-21-14-32(30(2)3)38(46)34-10-11-37-42(6)17-15-33(31-12-19-45(29-47,20-13-31)40(51)52)41(4,5)36(42)16-18-44(37,8)43(34,7)22-23-46/h12,15,32,34-38,48H,2,9-11,13-14,16-29H2,1,3-8H3,(H,51,52)/t32-,34+,35?,36-,37+,38+,42-,43+,44+,45+,46-/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372363
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)NCCO |r,t:18,20|
Show InChI InChI=1S/C39H60FNO3/c1-25(2)27-12-19-39(41-22-23-42)21-20-36(6)29(32(27)39)8-9-31-35(5)15-13-28(34(3,4)30(35)14-16-37(31,36)7)26-10-17-38(24-40,18-11-26)33(43)44/h10,13,27,29-32,41-42H,1,8-9,11-12,14-24H2,2-7H3,(H,43,44)/t27-,29+,30-,31+,32+,35-,36+,37+,38+,39-/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372365
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)NCCCN1CCCC1=O |r,t:18,20|
Show InChI InChI=1S/C44H67FN2O3/c1-29(2)31-15-22-44(46-25-9-27-47-26-8-10-36(47)48)24-23-41(6)33(37(31)44)11-12-35-40(5)18-16-32(39(3,4)34(40)17-19-42(35,41)7)30-13-20-43(28-45,21-14-30)38(49)50/h13,16,31,33-35,37,46H,1,8-12,14-15,17-28H2,2-7H3,(H,49,50)/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372355
PNG
(Preparation of (R)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...)
Show SMILES CC(=C)[C@@H]1CC[C@]2(CNCCCN3CCS(=O)(=O)CC3)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 |r,t:32,34|
Show InChI InChI=1S/C45H71FN2O4S/c1-31(2)33-13-20-45(30-47-23-8-24-48-25-27-53(51,52)28-26-48)22-21-42(6)35(38(33)45)9-10-37-41(5)16-14-34(40(3,4)36(41)15-17-43(37,42)7)32-11-18-44(29-46,19-12-32)39(49)50/h11,14,33,35-38,47H,1,8-10,12-13,15-30H2,2-7H3,(H,49,50)/t33-,35+,36-,37+,38+,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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372354
PNG
(Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...)
Show SMILES CC(=C)[C@@H]1CC[C@]2(CNCC(C)(C)N3CCS(=O)(=O)CC3)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 |r,t:33,35|
Show InChI InChI=1S/C46H73FN2O4S/c1-31(2)33-14-21-46(30-48-29-40(3,4)49-24-26-54(52,53)27-25-49)23-22-43(8)35(38(33)46)10-11-37-42(7)17-15-34(41(5,6)36(42)16-18-44(37,43)9)32-12-19-45(28-47,20-13-32)39(50)51/h12,15,33,35-38,48H,1,10-11,13-14,16-30H2,2-9H3,(H,50,51)/t33-,35+,36-,37+,38+,42-,43+,44+,45-,46+/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372353
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)NCCC1CCOCC1 |r,t:18,20|
Show InChI InChI=1S/C44H68FNO3/c1-29(2)32-12-22-44(46-25-15-30-16-26-49-27-17-30)24-23-41(6)34(37(32)44)8-9-36-40(5)18-13-33(39(3,4)35(40)14-19-42(36,41)7)31-10-20-43(28-45,21-11-31)38(47)48/h10,13,30,32,34-37,46H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t32-,34+,35-,36+,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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372352
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)NC(=O)CC1CCOCC1 |r,t:18,20|
Show InChI InChI=1S/C44H66FNO4/c1-28(2)31-12-21-44(46-36(47)26-29-15-24-50-25-16-29)23-22-41(6)33(37(31)44)8-9-35-40(5)17-13-32(39(3,4)34(40)14-18-42(35,41)7)30-10-19-43(27-45,20-11-30)38(48)49/h10,13,29,31,33-35,37H,1,8-9,11-12,14-27H2,2-7H3,(H,46,47)(H,48,49)/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372351
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)NCCC1CCS(=O)(=O)CC1 |r,t:18,20|
Show InChI InChI=1S/C44H68FNO4S/c1-29(2)32-12-22-44(46-25-15-30-16-26-51(49,50)27-17-30)24-23-41(6)34(37(32)44)8-9-36-40(5)18-13-33(39(3,4)35(40)14-19-42(36,41)7)31-10-20-43(28-45,21-11-31)38(47)48/h10,13,30,32,34-37,46H,1,8-9,11-12,14-28H2,2-7H3,(H,47,48)/t32-,34+,35-,36+,37+,40-,41+,42+,43-,44-/m0/s1
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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 [A364V]


(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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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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372414
PNG
(Preparation of (S)-1-(fluoromethyl)-4-((1R,3aS,5aR...)
Show SMILES CN1CCN(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)C1=O |r,t:21,23|
Show InChI InChI=1S/C43H66FN3O3/c1-28(2)30-13-20-43(45-23-24-47-26-25-46(8)37(47)50)22-21-40(6)32(35(30)43)9-10-34-39(5)16-14-31(38(3,4)33(39)15-17-41(34,40)7)29-11-18-42(27-44,19-12-29)36(48)49/h11,14,30,32-35,45H,1,9-10,12-13,15-27H2,2-8H3,(H,48,49)/t30-,32+,33-,34+,35+,39-,40+,41+,42-,43-/m0/s1
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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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372413
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)NCCN1CCNC1=O |r,t:18,20|
Show InChI InChI=1S/C42H64FN3O3/c1-27(2)29-12-19-42(45-23-25-46-24-22-44-36(46)49)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(47)48/h10,13,29,31-34,45H,1,8-9,11-12,14-26H2,2-7H3,(H,44,49)(H,47,48)/t29-,31+,32-,33+,34+,38-,39+,40+,41-,42-/m0/s1
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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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372409
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,wD:11.11,3.2,9.9,23.23,43.48,47.56,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,;8.39,3.32,;9.93,3.32,;10.7,1.99,;9.93,.65,;8.39,.65,;12.03,1.22,;13.36,1.99,;11.26,-.12,;12.8,-.12,)|
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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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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372408
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)NCC[C@@]1(O)CC[C@@H](CC1)S(C)(=O)=O |r,wU:34.36,14.13,39.44,37.41,15.15,6.45,23.23,43.49,47.56,wD:11.11,3.2,9.9,23.28,43.48,t:18,20,(.71,6.79,;.31,5.31,;-1.17,4.91,;1.4,4.22,;2.93,4.38,;3.56,2.97,;2.42,1.94,;2.42,.4,;1.08,-.37,;-.25,.4,;-.25,-1.14,;-.25,1.94,;-1.59,2.71,;-2.92,1.94,;-2.92,.4,;-4.25,-.37,;-4.25,1.17,;-5.59,.4,;-6.92,-.37,;-6.92,-1.91,;-8.25,-2.68,;-9.59,-1.91,;-10.92,-2.68,;-10.92,-4.22,;-11.32,-5.71,;-10.23,-6.79,;-9.59,-4.99,;-8.25,-4.22,;-12.41,-3.82,;-13.5,-4.91,;-12.81,-2.33,;-5.59,-2.68,;-6.36,-4.01,;-4.82,-4.01,;-4.25,-1.91,;-2.92,-2.68,;-1.59,-1.91,;-1.59,-.37,;-1.59,1.17,;1.08,2.71,;3.75,1.17,;5.08,1.94,;6.42,1.17,;7.75,1.94,;6.42,2.71,;8.52,.61,;10.06,.61,;10.83,1.94,;10.06,3.28,;8.52,3.28,;12.16,2.71,;13.5,1.94,;11.39,4.05,;12.93,4.05,)|
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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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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372405
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)NCC[C@@]1(O)CC[C@@](C)(O)CC1 |r,wU:34.36,14.13,39.44,37.41,15.15,6.45,23.23,47.53,43.49,wD:11.11,3.2,9.9,23.28,43.48,47.54,t:18,20,(1.38,6.79,;.98,5.31,;-.51,4.91,;2.07,4.22,;3.6,4.38,;4.23,2.97,;3.08,1.94,;3.08,.4,;1.75,-.37,;.42,.4,;.42,-1.14,;.42,1.94,;-.92,2.71,;-2.25,1.94,;-2.25,.4,;-3.59,-.37,;-3.59,1.17,;-4.92,.4,;-6.25,-.37,;-6.25,-1.91,;-7.59,-2.68,;-8.92,-1.91,;-10.25,-2.68,;-10.25,-4.22,;-10.65,-5.71,;-9.56,-6.79,;-8.92,-4.99,;-7.59,-4.22,;-11.74,-3.82,;-12.83,-4.91,;-12.14,-2.33,;-4.92,-2.68,;-5.69,-4.01,;-4.15,-4.01,;-3.59,-1.91,;-2.25,-2.68,;-.92,-1.91,;-.92,-.37,;-.92,1.17,;1.75,2.71,;4.42,1.17,;5.75,1.94,;7.08,1.17,;8.42,1.94,;7.08,2.71,;9.19,.61,;10.73,.61,;11.5,1.94,;12.83,2.71,;12.83,1.17,;10.73,3.28,;9.19,3.28,)|
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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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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372401
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)CCS(=O)(=O)CC1 |r,t:18,20|
Show InChI InChI=1S/C44H68FNO5S/c1-29(2)31-12-19-44(46-25-22-43(49)23-26-52(50,51)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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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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372368
PNG
(Preparation of 4-((1S,3aS,5aR,5bR,7aR,11aS,11bR,13...)
Show SMILES CC(C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,wU:34.36,14.13,39.44,37.41,15.15,6.45,23.23,wD:11.11,3.2,9.9,23.28,t:18,(1.83,6.84,;1.06,5.51,;-.48,5.51,;1.83,4.17,;3.36,4.33,;3.98,2.93,;2.84,1.9,;2.84,.36,;1.51,-.41,;.17,.36,;.17,-1.18,;.17,1.9,;-1.16,2.67,;-2.49,1.9,;-2.49,.36,;-3.83,-.41,;-3.83,1.13,;-5.16,.36,;-6.5,-.41,;-6.5,-1.95,;-7.83,-2.72,;-9.16,-1.95,;-10.5,-2.72,;-10.5,-4.26,;-11.98,-3.87,;-12.38,-2.38,;-9.16,-5.03,;-7.83,-4.26,;-10.89,-5.75,;-12.38,-6.15,;-9.81,-6.84,;-5.16,-2.72,;-5.93,-4.06,;-4.39,-4.06,;-3.83,-1.95,;-2.49,-2.72,;-1.16,-1.95,;-1.16,-.41,;-1.16,1.13,;1.51,2.67,;4.17,1.13,;5.51,.36,;6.84,1.13,;8.18,.36,;8.18,-1.18,;9.51,-1.95,;10.84,-1.18,;12.38,-1.18,;11.61,-2.52,;10.84,.36,;9.51,1.13,)|
Show InChI InChI=1S/C43H71FN2O4S/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/h13,29-31,33-36,45H,8-12,14-28H2,1-7H3,(H,47,48)/t30?,31-,33+,34-,35+,36+,39-,40+,41+,42-,43-/m0/s1
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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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372369
PNG
(Preparation of (1R)-4-((1R,3aS,5aR,5bR,7R,7aR,11aS...)
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 [A364V]


(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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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 [A364V]


(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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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 [A364V]


(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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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 [A364V]


(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 [A364V]


(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 [A364V]


(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 [A364V]


(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 [A364V]


(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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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 [A364V]


(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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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 [A364V]


(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 [A364V]


(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 [A364V]


(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 [A364V]


(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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372389
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)NCCC(C)(C)O |r,t:18,20|
Show InChI InChI=1S/C42H66FNO3/c1-27(2)29-14-21-42(44-25-24-36(3,4)47)23-22-39(8)31(34(29)42)10-11-33-38(7)17-15-30(37(5,6)32(38)16-18-40(33,39)9)28-12-19-41(26-43,20-13-28)35(45)46/h12,15,29,31-34,44,47H,1,10-11,13-14,16-26H2,2-9H3,(H,45,46)/t29-,31+,32-,33+,34+,38-,39+,40+,41-,42-/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372390
PNG
(Preparation of | US10245275, Example 2-2)
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=CC[C@@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCC(C)(C)O |r,t:18,20|
Show InChI InChI=1S/C41H64FNO3/c1-26(2)28-14-21-41(43-25-35(3,4)46)23-22-38(8)30(33(28)41)10-11-32-37(7)17-15-29(36(5,6)31(37)16-18-39(32,38)9)27-12-19-40(24-42,20-13-27)34(44)45/h12,15,28,30-33,43,46H,1,10-11,13-14,16-25H2,2-9H3,(H,44,45)/t28-,30+,31-,32+,33+,37-,38+,39+,40-,41-/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372391
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)NCCCC(C)(C)O |r,t:18,20|
Show InChI InChI=1S/C43H68FNO3/c1-28(2)30-15-23-43(45-26-10-18-37(3,4)48)25-24-40(8)32(35(30)43)11-12-34-39(7)19-16-31(38(5,6)33(39)17-20-41(34,40)9)29-13-21-42(27-44,22-14-29)36(46)47/h13,16,30,32-35,45,48H,1,10-12,14-15,17-27H2,2-9H3,(H,46,47)/t30-,32+,33-,34+,35+,39-,40+,41+,42-,43-/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372392
PNG
(Preparation of (S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11b...)
Show SMILES CCC(O)(CC)CCN[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC=C(C5=CC[C@@](CF)(CC5)C(O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r,t:22,24|
Show InChI InChI=1S/C44H70FNO3/c1-10-43(49,11-2)26-27-46-44-23-16-31(29(3)4)36(44)33-12-13-35-39(7)19-17-32(30-14-21-42(28-45,22-15-30)37(47)48)38(5,6)34(39)18-20-41(35,9)40(33,8)24-25-44/h14,17,31,33-36,46,49H,3,10-13,15-16,18-28H2,1-2,4-9H3,(H,47,48)/t31-,33+,34-,35+,36+,39-,40+,41+,42-,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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372393
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)OCc6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCC(O)(C1CC1)C1CC1 |r,t:18,20|
Show InChI InChI=1S/C53H76FNO3/c1-35(2)40-21-28-52(55-32-31-53(57,38-13-14-38)39-15-16-39)30-29-49(6)42(45(40)52)17-18-44-48(5)24-22-41(47(3,4)43(48)23-25-50(44,49)7)37-19-26-51(34-54,27-20-37)46(56)58-33-36-11-9-8-10-12-36/h8-12,19,22,38-40,42-45,55,57H,1,13-18,20-21,23-34H2,2-7H3/t40-,42+,43-,44+,45+,48-,49+,50+,51-,52-/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372397
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)CCC1 |r,t:18,20|
Show InChI InChI=1S/C43H66FNO3/c1-28(2)30-13-22-43(45-26-25-42(48)16-8-17-42)24-23-39(6)32(35(30)43)9-10-34-38(5)18-14-31(37(3,4)33(38)15-19-40(34,39)7)29-11-20-41(27-44,21-12-29)36(46)47/h11,14,30,32-35,45,48H,1,8-10,12-13,15-27H2,2-7H3,(H,46,47)/t30-,32+,33-,34+,35+,38-,39+,40+,41-,43-/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372398
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)COC1 |r,t:18,20|
Show InChI InChI=1S/C42H64FNO4/c1-27(2)29-12-19-42(44-23-22-41(47)25-48-26-41)21-20-38(6)31(34(29)42)8-9-33-37(5)15-13-30(36(3,4)32(37)14-16-39(33,38)7)28-10-17-40(24-43,18-11-28)35(45)46/h10,13,29,31-34,44,47H,1,8-9,11-12,14-26H2,2-7H3,(H,45,46)/t29-,31+,32-,33+,34+,37-,38+,39+,40-,42-/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 [A364V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM372399
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)NCCC1(O)COC1 |r,t:18,20|
Show InChI InChI=1S/C42H64FNO4/c1-27(2)29-12-19-42(44-23-22-41(47)25-48-26-41)21-20-38(6)31(34(29)42)8-9-33-37(5)15-13-30(36(3,4)32(37)14-16-39(33,38)7)28-10-17-40(24-43,18-11-28)35(45)46/h10,13,29,31-34,44,47H,1,8-9,11-12,14-26H2,2-7H3,(H,45,46)/t29-,31+,32-,33+,34+,37-,38+,39+,40+,42-/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 [A364V]


(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 51.3n/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 [A364V]


(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 57.1n/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 [A364V]


(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 59.7n/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 [A364V]


(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 76.4n/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 [A364V]


(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 84.7n/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
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