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84 similar compounds to monomer 950

Compile data set for download or QSAR
Wt: 715.8
BDBM856
Wt: 731.8
BDBM857
Wt: 775.9
BDBM858
Wt: 819.9
BDBM859
Wt: 715.8
BDBM864
Wt: 731.8
BDBM865
Wt: 775.9
BDBM866
Wt: 745.9
BDBM870
Wt: 701.8
BDBM930
Wt: 727.9
BDBM931
Wt: 785.9
BDBM932
Wt: 797.9
BDBM933
Wt: 750.9
BDBM935
Wt: 765.9
BDBM936
Wt: 770.3
BDBM937
Displayed 1 to 15 (of 84 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 856,857,858,859,864,865,866,870,930,931,932,933,935,936,937   
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)
BDBM856
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 22 |...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCCCNC(=O)C(NC1=O)C(C)C)cc2
Show InChI InChI=1S/C40H53N5O7/c1-26(2)33-37(47)41-21-11-12-22-51-31-19-17-29(18-20-31)24-42-35(39(49)44-33)36(46)32(23-28-13-7-5-8-14-28)43-38(48)34(27(3)4)45-40(50)52-25-30-15-9-6-10-16-30/h5-10,13-20,26-27,32-36,42,46H,11-12,21-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33?,34-,35+,36?/m0/s1
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6.60 -11.6n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM858
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23 |...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2
Show InChI InChI=1S/C42H57N5O9/c1-28(2)35-39(49)43-19-20-53-21-22-54-23-24-55-33-17-15-31(16-18-33)26-44-37(41(51)46-35)38(48)34(25-30-11-7-5-8-12-30)45-40(50)36(29(3)4)47-42(52)56-27-32-13-9-6-10-14-32/h5-18,28-29,34-38,44,48H,19-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35?,36-,37+,38?/m0/s1
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6.90 -11.6n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM936
PNG
(5PhBuCOOH deriv. | Statine deriv. 16 | Tle-Val-Sta...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H55N5O7/c1-29(2)37(41(51)46-27-32-17-11-7-12-18-32)48-43(53)39(45-26-33-21-23-35(55-5)24-22-33)40(50)36(25-31-15-9-6-10-16-31)47-42(52)38(30(3)4)49-44(54)56-28-34-19-13-8-14-20-34/h6-24,29-30,36-40,45,50H,25-28H2,1-5H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37-,38-,39+,40+/m0/s1
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7.40 -11.5n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM859
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 24 |...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2
Show InChI InChI=1S/C44H61N5O10/c1-30(2)37-41(51)45-19-20-55-21-22-56-23-24-57-25-26-58-35-17-15-33(16-18-35)28-46-39(43(53)48-37)40(50)36(27-32-11-7-5-8-12-32)47-42(52)38(31(3)4)49-44(54)59-29-34-13-9-6-10-14-34/h5-18,30-31,36-40,46,50H,19-29H2,1-4H3,(H,45,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37?,38-,39+,40?/m0/s1
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7.5 -11.5n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM865
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 20 |...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCOCCNC(=O)C(NC1=O)C(C)C)c2
Show InChI InChI=1S/C40H53N5O8/c1-26(2)33-37(47)41-18-19-51-20-21-52-31-17-11-16-30(22-31)24-42-35(39(49)44-33)36(46)32(23-28-12-7-5-8-13-28)43-38(48)34(27(3)4)45-40(50)53-25-29-14-9-6-10-15-29/h5-17,22,26-27,32-36,42,46H,18-21,23-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33?,34-,35+,36?/m0/s1
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7.60 -11.5n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM866
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 29 |...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)c2
Show InChI InChI=1S/C42H57N5O9/c1-28(2)35-39(49)43-18-19-53-20-21-54-22-23-55-33-17-11-16-32(24-33)26-44-37(41(51)46-35)38(48)34(25-30-12-7-5-8-13-30)45-40(50)36(29(3)4)47-42(52)56-27-31-14-9-6-10-15-31/h5-17,24,28-29,34-38,44,48H,18-23,25-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35?,36-,37+,38?/m0/s1
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7.70 -11.5n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM857
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 3 | ...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCNC(=O)C(NC1=O)C(C)C)cc2
Show InChI InChI=1S/C40H53N5O8/c1-26(2)33-37(47)41-19-20-51-21-22-52-31-17-15-29(16-18-31)24-42-35(39(49)44-33)36(46)32(23-28-11-7-5-8-12-28)43-38(48)34(27(3)4)45-40(50)53-25-30-13-9-6-10-14-30/h5-18,26-27,32-36,42,46H,19-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33?,34-,35+,36?/m0/s1
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7.90 -11.5n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM870
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 32 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C41H55N5O8/c1-27(2)33-37(48)42-20-21-52-22-23-53-31-18-16-29(17-19-31)25-43-34(38(49)45-33)35(47)32(24-28-12-8-6-9-13-28)44-39(50)36(41(3,4)5)46-40(51)54-26-30-14-10-7-11-15-30/h6-19,27,32-36,43,47H,20-26H2,1-5H3,(H,42,48)(H,44,50)(H,45,49)(H,46,51)/t32-,33?,34+,35?,36+/m0/s1
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8 -11.5n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM864
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 28 |...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCCCNC(=O)C(NC1=O)C(C)C)c2
Show InChI InChI=1S/C40H53N5O7/c1-26(2)33-37(47)41-20-11-12-21-51-31-19-13-18-30(22-31)24-42-35(39(49)44-33)36(46)32(23-28-14-7-5-8-15-28)43-38(48)34(27(3)4)45-40(50)52-25-29-16-9-6-10-17-29/h5-10,13-19,22,26-27,32-36,42,46H,11-12,20-21,23-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33?,34-,35+,36?/m0/s1
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9.40 -11.4n/an/an/an/an/a6.2537



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM870
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 32 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C41H55N5O8/c1-27(2)33-37(48)42-20-21-52-22-23-53-31-18-16-29(17-19-31)25-43-34(38(49)45-33)35(47)32(24-28-12-8-6-9-13-28)44-39(50)36(41(3,4)5)46-40(51)54-26-30-14-10-7-11-15-30/h6-19,27,32-36,43,47H,20-26H2,1-5H3,(H,42,48)(H,44,50)(H,45,49)(H,46,51)/t32-,33?,34+,35?,36+/m0/s1
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16 -11.1n/an/an/an/an/a4.737



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM937
PNG
(5PhBuCOOH deriv. | Statine deriv. 17 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H52ClN5O6/c1-28(2)36(40(51)46-26-31-16-10-6-11-17-31)48-42(53)38(45-25-32-20-22-34(44)23-21-32)39(50)35(24-30-14-8-5-9-15-30)47-41(52)37(29(3)4)49-43(54)55-27-33-18-12-7-13-19-33/h5-23,28-29,35-39,45,50H,24-27H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t35-,36-,37-,38+,39+/m0/s1
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17 -11.0n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM857
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 3 | ...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCNC(=O)C(NC1=O)C(C)C)cc2
Show InChI InChI=1S/C40H53N5O8/c1-26(2)33-37(47)41-19-20-51-21-22-52-31-17-15-29(16-18-31)24-42-35(39(49)44-33)36(46)32(23-28-11-7-5-8-12-28)43-38(48)34(27(3)4)45-40(50)53-25-30-13-9-6-10-14-30/h5-18,26-27,32-36,42,46H,19-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33?,34-,35+,36?/m0/s1
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19 -10.9n/an/an/an/an/a4.737



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM930
PNG
(5PhBuCOOH deriv. | Statine deriv. 10 | Tle-Val-Sta...)
Show SMILES CCCCN[C@H]([C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H55N5O6/c1-6-7-23-41-35(39(49)44-33(27(2)3)37(47)42-25-30-19-13-9-14-20-30)36(46)32(24-29-17-11-8-12-18-29)43-38(48)34(28(4)5)45-40(50)51-26-31-21-15-10-16-22-31/h8-22,27-28,32-36,41,46H,6-7,23-26H2,1-5H3,(H,42,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33-,34-,35+,36+/m0/s1
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23 -10.8n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM932
PNG
(5PhBuCOOH deriv. | Statine deriv. 12 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1cccc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C47H55N5O6/c1-31(2)40(44(54)49-28-34-19-10-6-11-20-34)51-46(56)42(48-29-37-25-16-24-36-23-14-15-26-38(36)37)43(53)39(27-33-17-8-5-9-18-33)50-45(55)41(32(3)4)52-47(57)58-30-35-21-12-7-13-22-35/h5-26,31-32,39-43,48,53H,27-30H2,1-4H3,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t39-,40-,41-,42+,43+/m0/s1
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26 -10.8n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM858
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23 |...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2
Show InChI InChI=1S/C42H57N5O9/c1-28(2)35-39(49)43-19-20-53-21-22-54-23-24-55-33-17-15-31(16-18-33)26-44-37(41(51)46-35)38(48)34(25-30-11-7-5-8-12-30)45-40(50)36(29(3)4)47-42(52)56-27-32-13-9-6-10-14-32/h5-18,28-29,34-38,44,48H,19-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35?,36-,37+,38?/m0/s1
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27 -10.7n/an/an/an/an/a4.737



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 39: 3291-9 (1996)


Article DOI: 10.1021/jm950641i
BindingDB Entry DOI: 10.7270/Q2P84935
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM931
PNG
(5PhBuCOOH deriv. | Statine deriv. 11 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NC1CCCCC1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H57N5O6/c1-28(2)35(39(49)43-26-31-19-11-6-12-20-31)46-41(51)37(44-33-23-15-8-16-24-33)38(48)34(25-30-17-9-5-10-18-30)45-40(50)36(29(3)4)47-42(52)53-27-32-21-13-7-14-22-32/h5-7,9-14,17-22,28-29,33-38,44,48H,8,15-16,23-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36-,37+,38+/m0/s1
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33.5 -10.6n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
HIV-2 Protease


(Human immunodeficiency virus type 2)
BDBM936
PNG
(5PhBuCOOH deriv. | Statine deriv. 16 | Tle-Val-Sta...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H55N5O7/c1-29(2)37(41(51)46-27-32-17-11-7-12-18-32)48-43(53)39(45-26-33-21-23-35(55-5)24-22-33)40(50)36(25-31-15-9-6-10-16-31)47-42(52)38(30(3)4)49-44(54)56-28-34-19-13-8-14-20-34/h6-24,29-30,36-40,45,50H,25-28H2,1-5H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37-,38-,39+,40+/m0/s1
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39 -10.5n/an/an/an/an/a4.737



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM933
PNG
(5PhBuCOOH deriv. | Statine deriv. 13 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](Nc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C48H55N5O6/c1-32(2)41(45(55)49-30-35-19-11-6-12-20-35)52-47(57)43(50-39-27-25-38(26-28-39)37-23-15-8-16-24-37)44(54)40(29-34-17-9-5-10-18-34)51-46(56)42(33(3)4)53-48(58)59-31-36-21-13-7-14-22-36/h5-28,32-33,40-44,50,54H,29-31H2,1-4H3,(H,49,55)(H,51,56)(H,52,57)(H,53,58)/t40-,41-,42-,43+,44+/m0/s1
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59 -10.3n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM935
PNG
(5PhBuCOOH deriv. | Statine deriv. 15 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCCc1ccccn1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H54N6O6/c1-29(2)36(40(51)46-27-32-18-10-6-11-19-32)48-42(53)38(45-25-23-34-22-14-15-24-44-34)39(50)35(26-31-16-8-5-9-17-31)47-41(52)37(30(3)4)49-43(54)55-28-33-20-12-7-13-21-33/h5-22,24,29-30,35-39,45,50H,23,25-28H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t35-,36-,37-,38+,39+/m0/s1
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200 -9.50n/an/an/an/an/a6.2537



SANDOZ Forschungsinstitut Ges.m.b.H.



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...


J Med Chem 37: 3079-89 (1994)


Article DOI: 10.1021/jm00045a013
BindingDB Entry DOI: 10.7270/Q21J97XV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM936
PNG
(5PhBuCOOH deriv. | Statine deriv. 16 | Tle-Val-Sta...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C44H55N5O7/c1-29(2)37(41(51)46-27-32-17-11-7-12-18-32)48-43(53)39(45-26-33-21-23-35(55-5)24-22-33)40(50)36(25-31-15-9-6-10-16-31)47-42(52)38(30(3)4)49-44(54)56-28-34-19-13-8-14-20-34/h6-24,29-30,36-40,45,50H,25-28H2,1-5H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37-,38-,39+,40+/m0/s1
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7.41E+9n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM937
PNG
(5PhBuCOOH deriv. | Statine deriv. 17 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H52ClN5O6/c1-28(2)36(40(51)46-26-31-16-10-6-11-17-31)48-42(53)38(45-25-32-20-22-34(44)23-21-32)39(50)35(24-30-14-8-5-9-15-30)47-41(52)37(29(3)4)49-43(54)55-27-33-18-12-7-13-19-33/h5-23,28-29,35-39,45,50H,24-27H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t35-,36-,37-,38+,39+/m0/s1
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1.70E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM930
PNG
(5PhBuCOOH deriv. | Statine deriv. 10 | Tle-Val-Sta...)
Show SMILES CCCCN[C@H]([C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H55N5O6/c1-6-7-23-41-35(39(49)44-33(27(2)3)37(47)42-25-30-19-13-9-14-20-30)36(46)32(24-29-17-11-8-12-18-29)43-38(48)34(28(4)5)45-40(50)51-26-31-21-15-10-16-22-31/h8-22,27-28,32-36,41,46H,6-7,23-26H2,1-5H3,(H,42,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33-,34-,35+,36+/m0/s1
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2.29E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM932
PNG
(5PhBuCOOH deriv. | Statine deriv. 12 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1cccc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C47H55N5O6/c1-31(2)40(44(54)49-28-34-19-10-6-11-20-34)51-46(56)42(48-29-37-25-16-24-36-23-14-15-26-38(36)37)43(53)39(27-33-17-8-5-9-18-33)50-45(55)41(32(3)4)52-47(57)58-30-35-21-12-7-13-22-35/h5-26,31-32,39-43,48,53H,27-30H2,1-4H3,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t39-,40-,41-,42+,43+/m0/s1
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2.57E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM931
PNG
(5PhBuCOOH deriv. | Statine deriv. 11 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NC1CCCCC1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H57N5O6/c1-28(2)35(39(49)43-26-31-19-11-6-12-20-31)46-41(51)37(44-33-23-15-8-16-24-33)38(48)34(25-30-17-9-5-10-18-30)45-40(50)36(29(3)4)47-42(52)53-27-32-21-13-7-14-22-32/h5-7,9-14,17-22,28-29,33-38,44,48H,8,15-16,23-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36-,37+,38+/m0/s1
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3.39E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM933
PNG
(5PhBuCOOH deriv. | Statine deriv. 13 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](Nc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C48H55N5O6/c1-32(2)41(45(55)49-30-35-19-11-6-12-20-35)52-47(57)43(50-39-27-25-38(26-28-39)37-23-15-8-16-24-37)44(54)40(29-34-17-9-5-10-18-34)51-46(56)42(33(3)4)53-48(58)59-31-36-21-13-7-14-22-36/h5-28,32-33,40-44,50,54H,29-31H2,1-4H3,(H,49,55)(H,51,56)(H,52,57)(H,53,58)/t40-,41-,42-,43+,44+/m0/s1
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5.89E+10n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM935
PNG
(5PhBuCOOH deriv. | Statine deriv. 15 | Tle-Val-Sta...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](NCCc1ccccn1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C43H54N6O6/c1-29(2)36(40(51)46-27-32-18-10-6-11-19-32)48-42(53)38(45-25-23-34-22-14-15-24-44-34)39(50)35(26-31-16-8-5-9-17-31)47-41(52)37(30(3)4)49-43(54)55-28-33-20-12-7-13-21-33/h5-22,24,29-30,35-39,45,50H,23,25-28H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t35-,36-,37-,38+,39+/m0/s1
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2.00E+11n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges. m.b.H

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair