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PubMed code 8230099

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM591
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C48H58N8O6S2/c1-47(2)39(55-45(63-47)37(41(59)51-29-33-21-13-7-14-22-33)53-35(57)27-31-17-9-5-10-18-31)43(61)49-25-26-50-44(62)40-48(3,4)64-46(56-40)38(42(60)52-30-34-23-15-8-16-24-34)54-36(58)28-32-19-11-6-12-20-32/h5-24,37-40,45-46,55-56H,25-30H2,1-4H3,(H,49,61)(H,50,62)(H,51,59)(H,52,60)(H,53,57)(H,54,58)/t37-,38-,39+,40+,45-,46-/m1/s1
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n/an/a 0.900n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM658
PNG
((3R,4R)-N-(1H-1,3-benzodiazol-2-yl)-4-{[(2R,4S)-2-...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)Nc2nc3ccccc3[nH]2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C41H45N7O5S/c1-41(2)36(48-39(54-41)35(37(52)42-25-28-18-10-5-11-19-28)46-33(50)23-27-16-8-4-9-17-27)38(53)43-31(22-26-14-6-3-7-15-26)32(49)24-34(51)47-40-44-29-20-12-13-21-30(29)45-40/h3-21,31-32,35-36,39,48-49H,22-25H2,1-2H3,(H,42,52)(H,43,53)(H,46,50)(H2,44,45,47,51)/t31-,32-,35-,36+,39-/m1/s1
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n/an/a 3.80n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM656
PNG
((3R,4R)-N-benzyl-4-{[(2R,4S)-2-[(R)-(benzylcarbamo...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C41H47N5O5S/c1-41(2)37(39(51)44-32(23-28-15-7-3-8-16-28)33(47)25-34(48)42-26-30-19-11-5-12-20-30)46-40(52-41)36(38(50)43-27-31-21-13-6-14-22-31)45-35(49)24-29-17-9-4-10-18-29/h3-22,32-33,36-37,40,46-47H,23-27H2,1-2H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)/t32-,33-,36-,37+,40-/m1/s1
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n/an/a 4.60n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM636
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NCC(O)CNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C49H60N8O7S2/c1-48(2)40(56-46(65-48)38(42(61)50-27-33-21-13-7-14-22-33)54-36(59)25-31-17-9-5-10-18-31)44(63)52-29-35(58)30-53-45(64)41-49(3,4)66-47(57-41)39(43(62)51-28-34-23-15-8-16-24-34)55-37(60)26-32-19-11-6-12-20-32/h5-24,35,38-41,46-47,56-58H,25-30H2,1-4H3,(H,50,61)(H,51,62)(H,52,63)(H,53,64)(H,54,59)(H,55,60)/t38-,39-,40+,41+,46-,47-/m1/s1
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n/an/a 5n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM654
PNG
((3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCC(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C38H49N5O5S/c1-25(2)23-39-31(45)22-30(44)29(20-26-14-8-5-9-15-26)41-36(48)34-38(3,4)49-37(43-34)33(35(47)40-24-28-18-12-7-13-19-28)42-32(46)21-27-16-10-6-11-17-27/h5-19,25,29-30,33-34,37,43-44H,20-24H2,1-4H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)/t29-,30-,33-,34+,37-/m1/s1
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n/an/a 69n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM652
PNG
((3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H41N5O5S/c1-34(2)30(32(44)37-25(26(40)20-27(35)41)18-22-12-6-3-7-13-22)39-33(45-34)29(31(43)36-21-24-16-10-5-11-17-24)38-28(42)19-23-14-8-4-9-15-23/h3-17,25-26,29-30,33,39-40H,18-21H2,1-2H3,(H2,35,41)(H,36,43)(H,37,44)(H,38,42)/t25-,26-,29-,30+,33-/m1/s1
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n/an/a 82n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM640
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H38N4O4S/c1-32(2)28(30(40)34-25(21-37)18-22-12-6-3-7-13-22)36-31(41-32)27(29(39)33-20-24-16-10-5-11-17-24)35-26(38)19-23-14-8-4-9-15-23/h3-17,25,27-28,31,36-37H,18-21H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)/t25-,27-,28+,31-/m1/s1
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n/an/a 150n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM661
PNG
((3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C43H51N5O6S/c1-43(2)39(48-42(55-43)38(40(53)44-27-32-21-13-6-14-22-32)47-36(51)25-31-19-11-5-12-20-31)41(54)46-34(24-30-17-9-4-10-18-30)35(50)26-37(52)45-33(28-49)23-29-15-7-3-8-16-29/h3-22,33-35,38-39,42,48-50H,23-28H2,1-2H3,(H,44,53)(H,45,52)(H,46,54)(H,47,51)/t33-,34-,35-,38-,39+,42-/m1/s1
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n/an/a 170n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM660
PNG
((3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@H](CO)c2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C42H49N5O6S/c1-42(2)38(47-41(54-42)37(39(52)43-26-30-19-11-5-12-20-30)46-35(50)24-29-17-9-4-10-18-29)40(53)45-32(23-28-15-7-3-8-16-28)34(49)25-36(51)44-33(27-48)31-21-13-6-14-22-31/h3-22,32-34,37-38,41,47-49H,23-27H2,1-2H3,(H,43,52)(H,44,51)(H,45,53)(H,46,50)/t32-,33-,34-,37-,38+,41-/m1/s1
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Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM659
PNG
((3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@@H](CO)c2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C42H49N5O6S/c1-42(2)38(47-41(54-42)37(39(52)43-26-30-19-11-5-12-20-30)46-35(50)24-29-17-9-4-10-18-29)40(53)45-32(23-28-15-7-3-8-16-28)34(49)25-36(51)44-33(27-48)31-21-13-6-14-22-31/h3-22,32-34,37-38,41,47-49H,23-27H2,1-2H3,(H,43,52)(H,44,51)(H,45,53)(H,46,50)/t32-,33+,34-,37-,38+,41-/m1/s1
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Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM662
PNG
((3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C43H51N5O6S/c1-43(2)39(48-42(55-43)38(40(53)44-27-32-21-13-6-14-22-32)47-36(51)25-31-19-11-5-12-20-31)41(54)46-34(24-30-17-9-4-10-18-30)35(50)26-37(52)45-33(28-49)23-29-15-7-3-8-16-29/h3-22,33-35,38-39,42,48-50H,23-28H2,1-2H3,(H,44,53)(H,45,52)(H,46,54)(H,47,51)/t33-,34+,35+,38+,39-,42+/m0/s1
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n/an/a 220n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM646
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NC(CO)CCCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C29H40N4O4S/c1-4-5-16-22(19-34)31-27(37)25-29(2,3)38-28(33-25)24(26(36)30-18-21-14-10-7-11-15-21)32-23(35)17-20-12-8-6-9-13-20/h6-15,22,24-25,28,33-34H,4-5,16-19H2,1-3H3,(H,30,36)(H,31,37)(H,32,35)/t22?,24-,25+,28-/m1/s1
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Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM663
PNG
((3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCCc2ncc[nH]2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C39H47N7O5S/c1-39(2)35(37(51)44-29(22-26-12-6-3-7-13-26)30(47)24-32(48)42-19-18-31-40-20-21-41-31)46-38(52-39)34(36(50)43-25-28-16-10-5-11-17-28)45-33(49)23-27-14-8-4-9-15-27/h3-17,20-21,29-30,34-35,38,46-47H,18-19,22-25H2,1-2H3,(H,40,41)(H,42,48)(H,43,50)(H,44,51)(H,45,49)/t29-,30-,34-,35+,38-/m1/s1
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n/an/a 300n/an/an/an/a6.037



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Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM647
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NC(CO)C(C)CC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C29H40N4O4S/c1-5-19(2)22(18-34)31-27(37)25-29(3,4)38-28(33-25)24(26(36)30-17-21-14-10-7-11-15-21)32-23(35)16-20-12-8-6-9-13-20/h6-15,19,22,24-25,28,33-34H,5,16-18H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/t19?,22?,24-,25+,28-/m1/s1
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Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM635
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NCCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C49H60N8O6S2/c1-48(2)40(56-46(64-48)38(42(60)52-30-34-22-13-7-14-23-34)54-36(58)28-32-18-9-5-10-19-32)44(62)50-26-17-27-51-45(63)41-49(3,4)65-47(57-41)39(43(61)53-31-35-24-15-8-16-25-35)55-37(59)29-33-20-11-6-12-21-33/h5-16,18-25,38-41,46-47,56-57H,17,26-31H2,1-4H3,(H,50,62)(H,51,63)(H,52,60)(H,53,61)(H,54,58)(H,55,59)/t38-,39-,40+,41+,46-,47-/m1/s1
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n/an/a 540n/an/an/an/a6.037



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Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM651
PNG
((3S,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H41N5O5S/c1-34(2)30(32(44)37-25(26(40)20-27(35)41)18-22-12-6-3-7-13-22)39-33(45-34)29(31(43)36-21-24-16-10-5-11-17-24)38-28(42)19-23-14-8-4-9-15-23/h3-17,25-26,29-30,33,39-40H,18-21H2,1-2H3,(H2,35,41)(H,36,43)(H,37,44)(H,38,42)/t25-,26+,29-,30+,33-/m1/s1
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n/an/a 1.90E+3n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM653
PNG
((3S,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(=O)NCC(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C38H49N5O5S/c1-25(2)23-39-31(45)22-30(44)29(20-26-14-8-5-9-15-26)41-36(48)34-38(3,4)49-37(43-34)33(35(47)40-24-28-18-12-7-13-19-28)42-32(46)21-27-16-10-6-11-17-27/h5-19,25,29-30,33-34,37,43-44H,20-24H2,1-4H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)/t29-,30+,33-,34+,37-/m1/s1
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n/an/a 2.80E+3n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM655
PNG
((3S,4R)-N-benzyl-4-{[(2R,4S)-2-[(R)-(benzylcarbamo...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C41H47N5O5S/c1-41(2)37(39(51)44-32(23-28-15-7-3-8-16-28)33(47)25-34(48)42-26-30-19-11-5-12-20-30)46-40(52-41)36(38(50)43-27-31-21-13-6-14-22-31)45-35(49)24-29-17-9-4-10-18-29/h3-22,32-33,36-37,40,46-47H,23-27H2,1-2H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)/t32-,33+,36-,37+,40-/m1/s1
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n/an/a 2.90E+3n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM657
PNG
((3S,4R)-N-(1H-1,3-benzodiazol-2-yl)-4-{[(2R,4S)-2-...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(=O)Nc2nc3ccccc3[nH]2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C41H45N7O5S/c1-41(2)36(48-39(54-41)35(37(52)42-25-28-18-10-5-11-19-28)46-33(50)23-27-16-8-4-9-17-27)38(53)43-31(22-26-14-6-3-7-15-26)32(49)24-34(51)47-40-44-29-20-12-13-21-30(29)45-40/h3-21,31-32,35-36,39,48-49H,22-25H2,1-2H3,(H,42,52)(H,43,53)(H,46,50)(H2,44,45,47,51)/t31-,32+,35-,36+,39-/m1/s1
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n/an/a>3.80E+3n/an/an/an/a6.037



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Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM643
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)CC(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C29H40N4O4S/c1-19(2)15-22(18-34)31-27(37)25-29(3,4)38-28(33-25)24(26(36)30-17-21-13-9-6-10-14-21)32-23(35)16-20-11-7-5-8-12-20/h5-14,19,22,24-25,28,33-34H,15-18H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/t22-,24-,25+,28-/m1/s1
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n/an/a>4.60E+3n/an/an/an/a6.037



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Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM644
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)C(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C28H38N4O4S/c1-18(2)21(17-33)30-26(36)24-28(3,4)37-27(32-24)23(25(35)29-16-20-13-9-6-10-14-20)31-22(34)15-19-11-7-5-8-12-19/h5-14,18,21,23-24,27,32-33H,15-17H2,1-4H3,(H,29,35)(H,30,36)(H,31,34)/t21-,23+,24-,27+/m0/s1
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n/an/a>4.70E+3n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM648
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](C)CO)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C26H34N4O4S/c1-17(16-31)28-24(34)22-26(2,3)35-25(30-22)21(23(33)27-15-19-12-8-5-9-13-19)29-20(32)14-18-10-6-4-7-11-18/h4-13,17,21-22,25,30-31H,14-16H2,1-3H3,(H,27,33)(H,28,34)(H,29,32)/t17-,21-,22+,25-/m1/s1
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n/an/a>2.00E+4n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM642
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)CCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C33H40N4O4S/c1-33(2)29(31(41)35-26(22-38)19-18-23-12-6-3-7-13-23)37-32(42-33)28(30(40)34-21-25-16-10-5-11-17-25)36-27(39)20-24-14-8-4-9-15-24/h3-17,26,28-29,32,37-38H,18-22H2,1-2H3,(H,34,40)(H,35,41)(H,36,39)/t26-,28-,29+,32-/m1/s1
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n/an/a 2.50E+4n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM641
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](CO)CCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C33H40N4O4S/c1-33(2)29(31(41)35-26(22-38)19-18-23-12-6-3-7-13-23)37-32(42-33)28(30(40)34-21-25-16-10-5-11-17-25)36-27(39)20-24-14-8-4-9-15-24/h3-17,26,28-29,32,37-38H,18-22H2,1-2H3,(H,34,40)(H,35,41)(H,36,39)/t26-,28+,29-,32+/m0/s1
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n/an/a 2.60E+4n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM639
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H38N4O4S/c1-32(2)28(30(40)34-25(21-37)18-22-12-6-3-7-13-22)36-31(41-32)27(29(39)33-20-24-16-10-5-11-17-24)35-26(38)19-23-14-8-4-9-15-23/h3-17,25,27-28,31,36-37H,18-21H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)/t25-,27+,28-,31+/m0/s1
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n/an/a>1.70E+5n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM638
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NCCO)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C25H32N4O4S/c1-25(2)21(23(33)26-13-14-30)29-24(34-25)20(22(32)27-16-18-11-7-4-8-12-18)28-19(31)15-17-9-5-3-6-10-17/h3-12,20-21,24,29-30H,13-16H2,1-2H3,(H,26,33)(H,27,32)(H,28,31)/t20-,21+,24-/m1/s1
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n/an/a 1.80E+5n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM649
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@@H](C)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H38N4O3S/c1-22(19-23-13-7-4-8-14-23)34-30(39)28-32(2,3)40-31(36-28)27(29(38)33-21-25-17-11-6-12-18-25)35-26(37)20-24-15-9-5-10-16-24/h4-18,22,27-28,31,36H,19-21H2,1-3H3,(H,33,38)(H,34,39)(H,35,37)/t22-,27+,28-,31+/m0/s1
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n/an/a>1.80E+5n/an/an/an/a6.037



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Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM650
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](C)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H38N4O3S/c1-22(19-23-13-7-4-8-14-23)34-30(39)28-32(2,3)40-31(36-28)27(29(38)33-21-25-17-11-6-12-18-25)35-26(37)20-24-15-9-5-10-16-24/h4-18,22,27-28,31,36H,19-21H2,1-3H3,(H,33,38)(H,34,39)(H,35,37)/t22-,27-,28+,31-/m1/s1
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n/an/a>1.80E+5n/an/an/an/a6.037



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Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM637
PNG
((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...)
Show SMILES [H][C@]1(N[C@@H](C(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C23H28N4O3S/c1-23(2)19(20(24)29)27-22(31-23)18(21(30)25-14-16-11-7-4-8-12-16)26-17(28)13-15-9-5-3-6-10-15/h3-12,18-19,22,27H,13-14H2,1-2H3,(H2,24,29)(H,25,30)(H,26,28)/t18-,19+,22-/m1/s1
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n/an/a>2.30E+5n/an/an/an/a6.037



Glaxo Group Research Ltd.



Assay Description
IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...

J Med Chem 36: 3129-36 (1993)


Article DOI: 10.1021/jm00073a012
BindingDB Entry DOI: 10.7270/Q20P0X6C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%