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15 similar compounds to monomer 12210

Compile data set for download or QSAR
Wt: 670.8
BDBM12198
Wt: 698.8
BDBM12199
Wt: 748.9
BDBM12200
Wt: 712.9
BDBM12201
Wt: 699.8
BDBM12202
Wt: 697.9
BDBM12203
Wt: 680.8
BDBM12204
Wt: 698.8
BDBM12205
Wt: 713.9
BDBM12206
Wt: 681.9
BDBM12207
Wt: 683.8
BDBM12208
Wt: 685.8
BDBM12209
Wt: 712.9
BDBM12211
Wt: 685.8
BDBM12212
Wt: 698.8
BDBM12213

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 12198,12199,12200,12201,12202,12203,12204,12205,12206,12207,12208,12209,12211,12212,12213   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12198
PNG
((2S)-N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1/C33H46N6O5S2/c1-22(2)18-38(46(43,44)28-13-11-26(34)12-14-28)20-30(40)29(17-25-9-7-6-8-10-25)36-32(41)31(23(3)4)39-16-15-37(33(39)42)19-27-21-45-24(5)35-27/h6-14,21-23,29-31,40H,15-20,34H2,1-5H3,(H,36,41)/t29-,30+,31-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12213
PNG
((2S)-N-[(2S,3R)-3-hydroxy-4-({3-[(1E)-(hydroxyimin...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1cccc(CN=O)c1
Show InChI InChI=1/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-9-12-27(16-29)18-35-44)21-31(41)30(17-26-10-7-6-8-11-26)37-33(42)32(24(3)4)40-15-14-38(34(40)43)20-28-22-47-25(5)36-28/h6-13,16,22-24,30-32,41H,14-15,17-21H2,1-5H3,(H,37,42)/t30-,31+,32-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12200
PNG
((2S)-N-[(2S,3R)-3-hydroxy-4-[(4-methanesulfonamido...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1/C34H48N6O7S3/c1-23(2)19-39(50(46,47)29-14-12-27(13-15-29)37-49(6,44)45)21-31(41)30(18-26-10-8-7-9-11-26)36-33(42)32(24(3)4)40-17-16-38(34(40)43)20-28-22-48-25(5)35-28/h7-15,22-24,30-32,37,41H,16-21H2,1-6H3,(H,36,42)/t30-,31+,32-/s2
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n/an/a 1.19E+3n/an/an/an/a4.530



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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12201
PNG
((2S)-N-[(2S,3R)-4-[(4-acetamidobenzene)(2-methylpr...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1/C35H48N6O6S2/c1-23(2)19-40(49(46,47)30-14-12-28(13-15-30)36-25(5)42)21-32(43)31(18-27-10-8-7-9-11-27)38-34(44)33(24(3)4)41-17-16-39(35(41)45)20-29-22-48-26(6)37-29/h7-15,22-24,31-33,43H,16-21H2,1-6H3,(H,36,42)(H,38,44)/t31-,32+,33-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12202
PNG
(4-{[(2R,3S)-2-hydroxy-3-[(2S)-3-methyl-2-{3-[(2-me...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1/C34H45N5O7S2/c1-22(2)18-38(48(45,46)28-13-11-26(12-14-28)33(42)43)20-30(40)29(17-25-9-7-6-8-10-25)36-32(41)31(23(3)4)39-16-15-37(34(39)44)19-27-21-47-24(5)35-27/h6-14,21-23,29-31,40H,15-20H2,1-5H3,(H,36,41)(H,42,43)/t29-,30+,31-/s2
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n/an/a 1.00E+4n/an/an/an/a4.530



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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12203
PNG
((2S)-N-[(2S,3R)-4-[(4-acetylbenzene)(2-methylpropy...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(C)=O
Show InChI InChI=1/C35H47N5O6S2/c1-23(2)19-39(48(45,46)30-14-12-28(13-15-30)25(5)41)21-32(42)31(18-27-10-8-7-9-11-27)37-34(43)33(24(3)4)40-17-16-38(35(40)44)20-29-22-47-26(6)36-29/h7-15,22-24,31-33,42H,16-21H2,1-6H3,(H,37,43)/t31-,32+,33-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12204
PNG
((2S)-N-[(2S,3R)-4-[(4-cyanobenzene)(2-methylpropyl...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1/C34H44N6O5S2/c1-23(2)19-39(47(44,45)29-13-11-27(18-35)12-14-29)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-46-25(5)36-28/h6-14,22-24,30-32,41H,15-17,19-21H2,1-5H3,(H,37,42)/t30-,31+,32-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12205
PNG
(4-{[(2R,3S)-2-hydroxy-3-[(2S)-3-methyl-2-{3-[(2-me...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(N)=O
Show InChI InChI=1/C34H46N6O6S2/c1-22(2)18-39(48(45,46)28-13-11-26(12-14-28)32(35)42)20-30(41)29(17-25-9-7-6-8-10-25)37-33(43)31(23(3)4)40-16-15-38(34(40)44)19-27-21-47-24(5)36-27/h6-14,21-23,29-31,41H,15-20H2,1-5H3,(H2,35,42)(H,37,43)/t29-,30+,31-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12206
PNG
((2S)-N-[(2S,3R)-3-hydroxy-4-{[4-(N'-hydroxycarbami...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(=N)NO
Show InChI InChI=1/C34H47N7O6S2/c1-22(2)18-40(49(46,47)28-13-11-26(12-14-28)32(35)38-45)20-30(42)29(17-25-9-7-6-8-10-25)37-33(43)31(23(3)4)41-16-15-39(34(41)44)19-27-21-48-24(5)36-27/h6-14,21-23,29-31,42,45H,15-20H2,1-5H3,(H2,35,38)(H,37,43)/t29-,30+,31-/s2
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n/an/a 143n/an/an/an/a4.530



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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12207
PNG
((2S)-N-[(2S,3R)-4-[(4-ethenylbenzene)(2-methylprop...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(C=C)cc1
Show InChI InChI=1/C35H47N5O5S2/c1-7-27-13-15-30(16-14-27)47(44,45)39(20-24(2)3)22-32(41)31(19-28-11-9-8-10-12-28)37-34(42)33(25(4)5)40-18-17-38(35(40)43)21-29-23-46-26(6)36-29/h7-16,23-25,31-33,41H,1,17-22H2,2-6H3,(H,37,42)/t31-,32+,33-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12208
PNG
((2S)-N-[(2S,3R)-4-[(4-formylbenzene)(2-methylpropy...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(C=O)cc1
Show InChI InChI=1/C34H45N5O6S2/c1-23(2)18-38(47(44,45)29-13-11-27(21-40)12-14-29)20-31(41)30(17-26-9-7-6-8-10-26)36-33(42)32(24(3)4)39-16-15-37(34(39)43)19-28-22-46-25(5)35-28/h6-14,21-24,30-32,41H,15-20H2,1-5H3,(H,36,42)/t30-,31+,32-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12209
PNG
((2S)-N-[(2S,3R)-3-hydroxy-4-{[4-(hydroxymethyl)ben...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1/C34H47N5O6S2/c1-23(2)18-38(47(44,45)29-13-11-27(21-40)12-14-29)20-31(41)30(17-26-9-7-6-8-10-26)36-33(42)32(24(3)4)39-16-15-37(34(39)43)19-28-22-46-25(5)35-28/h6-14,22-24,30-32,40-41H,15-21H2,1-5H3,(H,36,42)/t30-,31+,32-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12211
PNG
((2S)-N-[(2S,3R)-3-hydroxy-4-({4-[(1E)-(methoxyimin...)
Show SMILES CO\N=C\c1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O
Show InChI InChI=1/C35H48N6O6S2/c1-24(2)20-40(49(45,46)30-14-12-28(13-15-30)19-36-47-6)22-32(42)31(18-27-10-8-7-9-11-27)38-34(43)33(25(3)4)41-17-16-39(35(41)44)21-29-23-48-26(5)37-29/h7-15,19,23-25,31-33,42H,16-18,20-22H2,1-6H3,(H,38,43)/b36-19+/t31-,32+,33-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12212
PNG
((2S)-N-[(2S,3R)-3-hydroxy-4-{[3-(hydroxymethyl)ben...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1cccc(CO)c1
Show InChI InChI=1/C34H47N5O6S2/c1-23(2)18-38(47(44,45)29-13-9-12-27(16-29)21-40)20-31(41)30(17-26-10-7-6-8-11-26)36-33(42)32(24(3)4)39-15-14-37(34(39)43)19-28-22-46-25(5)35-28/h6-13,16,22-24,30-32,40-41H,14-15,17-21H2,1-5H3,(H,36,42)/t30-,31+,32-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM12199
PNG
((2S)-N-[(2S,3R)-4-[(4-formamidobenzene)(2-methylpr...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NC=O)cc1
Show InChI InChI=1/C34H46N6O6S2/c1-23(2)18-39(48(45,46)29-13-11-27(12-14-29)35-22-41)20-31(42)30(17-26-9-7-6-8-10-26)37-33(43)32(24(3)4)40-16-15-38(34(40)44)19-28-21-47-25(5)36-28/h6-14,21-24,30-32,42H,15-20H2,1-5H3,(H,35,41)(H,37,43)/t30-,31+,32-/s2
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Assay Description
HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...


Bioorg Med Chem Lett 15: 2275-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.008
BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
More data for this
Ligand-Target Pair