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PubMed code 8765512

Compile data set for download or QSAR
Found 25 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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM874
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 1 | ...)
Show SMILES COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)NC(C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
Show InChI InChI=1S/C45H55N7O7/c1-28(2)38(42(54)47-26-37-48-34-18-12-13-19-35(34)49-37)51-44(56)40(46-25-31-20-22-33(58-5)23-21-31)41(53)36(24-30-14-8-6-9-15-30)50-43(55)39(29(3)4)52-45(57)59-27-32-16-10-7-11-17-32/h6-23,28-29,36,38-41,46,53H,24-27H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t36-,38?,39-,40+,41?/m0/s1
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3.40 -50.3n/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)
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 |r|
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 -48.6n/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 |r|
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 -48.5n/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)
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 |r|
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 -48.2n/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 |r|
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 -48.2n/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 |r|
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 -48.2n/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 |r|
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 -48.1n/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 |r|
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 -48.1n/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)
BDBM872
PNG
((3R)-oxolan-3-yl N-[(1S,2S)-1-[(10R,13R)-9,12-diox...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r|
Show InChI InChI=1S/C32H44N4O8/c1-21(2)27-30(38)33-13-15-41-16-17-43-24-10-8-23(9-11-24)19-34-28(31(39)36-27)29(37)26(18-22-6-4-3-5-7-22)35-32(40)44-25-12-14-42-20-25/h3-11,21,25-29,34,37H,12-20H2,1-2H3,(H,33,38)(H,35,40)(H,36,39)/t25?,26-,27?,28+,29?/m0/s1
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8.20 -48.0n/an/an/an/an/a6.2537



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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 |r|
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 -47.7n/an/an/an/an/a6.2537



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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)
BDBM875
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 2 | ...)
Show SMILES COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2C(O)Cc3ccccc23)cc1 |r|
Show InChI InChI=1S/C42H50N4O7/c1-42(2,3)38(46-41(51)53-26-29-15-9-6-10-16-29)40(50)44-33(23-27-13-7-5-8-14-27)37(48)36(43-25-28-19-21-31(52-4)22-20-28)39(49)45-35-32-18-12-11-17-30(32)24-34(35)47/h5-22,33-38,43,47-48H,23-26H2,1-4H3,(H,44,50)(H,45,49)(H,46,51)/t33-,34?,35-,36+,37?,38+/m0/s1
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9.5 -47.6n/an/an/an/an/a6.2537



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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)
BDBM871
PNG
((2S)-N-[(1S,2S)-1-[(10R,13R)-9,12-dioxo-10-(propan...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CSc1nncn1C)C(C)(C)C |r|
Show InChI InChI=1S/C38H54N8O7S/c1-24(2)30-34(49)39-16-17-52-18-19-53-27-14-12-26(13-15-27)21-40-31(35(50)44-30)32(48)28(20-25-10-8-7-9-11-25)42-36(51)33(38(3,4)5)43-29(47)22-54-37-45-41-23-46(37)6/h7-15,23-24,28,30-33,40,48H,16-22H2,1-6H3,(H,39,49)(H,42,51)(H,43,47)(H,44,50)/t28-,30?,31+,32?,33+/m0/s1
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11.1 -47.2n/an/an/an/an/a6.2537



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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)
BDBM862
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 26 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C34H50N4O8/c1-23(2)28-31(40)35-15-16-43-17-18-44-19-20-45-26-13-11-25(12-14-26)22-36-29(32(41)38-28)30(39)27(21-24-9-7-6-8-10-24)37-33(42)46-34(3,4)5/h6-14,23,27-30,36,39H,15-22H2,1-5H3,(H,35,40)(H,37,42)(H,38,41)/t27-,28?,29+,30?/m0/s1
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12.6 -46.9n/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)
BDBM873
PNG
((3R)-oxolan-3-yl N-[(1S,2S)-1-[(13R,16R)-12,15-dio...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r|
Show InChI InChI=1S/C34H48N4O9/c1-23(2)29-32(40)35-13-15-43-16-17-44-18-19-46-26-10-8-25(9-11-26)21-36-30(33(41)38-29)31(39)28(20-24-6-4-3-5-7-24)37-34(42)47-27-12-14-45-22-27/h3-11,23,27-31,36,39H,12-22H2,1-2H3,(H,35,40)(H,37,42)(H,38,41)/t27?,28-,29?,30+,31?/m0/s1
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13.8 -46.7n/an/an/an/an/a6.2537



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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)
BDBM861
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 16 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C32H46N4O7/c1-21(2)26-29(38)33-15-16-41-17-18-42-24-13-11-23(12-14-24)20-34-27(30(39)36-26)28(37)25(19-22-9-7-6-8-10-22)35-31(40)43-32(3,4)5/h6-14,21,25-28,34,37H,15-20H2,1-5H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26?,27+,28?/m0/s1
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14 -46.6n/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-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 |r|
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 -46.3n/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)
BDBM867
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 30 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2cccc(OCCCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C32H46N4O6/c1-21(2)26-29(38)33-16-9-10-17-41-24-15-11-14-23(18-24)20-34-27(30(39)36-26)28(37)25(19-22-12-7-6-8-13-22)35-31(40)42-32(3,4)5/h6-8,11-15,18,21,25-28,34,37H,9-10,16-17,19-20H2,1-5H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26?,27+,28?/m0/s1
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16.1 -46.3n/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)
BDBM860
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 25 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C32H46N4O6/c1-21(2)26-29(38)33-17-9-10-18-41-24-15-13-23(14-16-24)20-34-27(30(39)36-26)28(37)25(19-22-11-7-6-8-12-22)35-31(40)42-32(3,4)5/h6-8,11-16,21,25-28,34,37H,9-10,17-20H2,1-5H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26?,27+,28?/m0/s1
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17 -46.1n/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)
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 |r|
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 -45.8n/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)
BDBM863
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 27 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C36H54N4O9/c1-25(2)30-33(42)37-15-16-45-17-18-46-19-20-47-21-22-48-28-13-11-27(12-14-28)24-38-31(34(43)40-30)32(41)29(23-26-9-7-6-8-10-26)39-35(44)49-36(3,4)5/h6-14,25,29-32,38,41H,15-24H2,1-5H3,(H,37,42)(H,39,44)(H,40,43)/t29-,30?,31+,32?/m0/s1
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23.2 -45.3n/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)
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 |r|
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 -44.9n/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-2 Protease


(Human immunodeficiency virus type 2)
BDBM875
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 2 | ...)
Show SMILES COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2C(O)Cc3ccccc23)cc1 |r|
Show InChI InChI=1S/C42H50N4O7/c1-42(2,3)38(46-41(51)53-26-29-15-9-6-10-16-29)40(50)44-33(23-27-13-7-5-8-14-27)37(48)36(43-25-28-19-21-31(52-4)22-20-28)39(49)45-35-32-18-12-11-17-30(32)24-34(35)47/h5-22,33-38,43,47-48H,23-26H2,1-4H3,(H,44,50)(H,45,49)(H,46,51)/t33-,34?,35-,36+,37?,38+/m0/s1
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50 -43.3n/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)
BDBM868
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 17 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2cccc(OCCOCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C32H46N4O7/c1-21(2)26-29(38)33-14-15-41-16-17-42-24-13-9-12-23(18-24)20-34-27(30(39)36-26)28(37)25(19-22-10-7-6-8-11-22)35-31(40)43-32(3,4)5/h6-13,18,21,25-28,34,37H,14-17,19-20H2,1-5H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26?,27+,28?/m0/s1
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68.8 -42.5n/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-2 Protease


(Human immunodeficiency virus type 2)
BDBM874
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 1 | ...)
Show SMILES COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)NC(C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
Show InChI InChI=1S/C45H55N7O7/c1-28(2)38(42(54)47-26-37-48-34-18-12-13-19-35(34)49-37)51-44(56)40(46-25-31-20-22-33(58-5)23-21-31)41(53)36(24-30-14-8-6-9-15-30)50-43(55)39(29(3)4)52-45(57)59-27-32-16-10-7-11-17-32/h6-23,28-29,36,38-41,46,53H,24-27H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t36-,38?,39-,40+,41?/m0/s1
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120 -41.1n/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)
BDBM869
PNG
(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 31 |...)
Show SMILES CC(C)C1NC(=O)[C@H](NCc2cccc(OCCOCCOCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C34H50N4O8/c1-23(2)28-31(40)35-14-15-43-16-17-44-18-19-45-26-13-9-12-25(20-26)22-36-29(32(41)38-28)30(39)27(21-24-10-7-6-8-11-24)37-33(42)46-34(3,4)5/h6-13,20,23,27-30,36,39H,14-19,21-22H2,1-5H3,(H,35,40)(H,37,42)(H,38,41)/t27-,28?,29+,30?/m0/s1
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208 -39.7n/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
* indicates data uncertainty>20%