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39 similar compounds to monomer 580

Compile data set for download or QSAR
Wt: 499.6
BDBM713
Wt: 527.6
BDBM714
Wt: 541.7
BDBM715
Wt: 547.6
BDBM716
Wt: 596.1
BDBM717
Wt: 589.7
BDBM718
Wt: 720.8
BDBM50209554
Wt: 734.9
BDBM50209558
Wt: 720.8
BDBM50209561
Wt: 734.9
BDBM50209563
Wt: 681.8
BDBM50242888
Wt: 695.9
BDBM50242944
Wt: 709.9
BDBM50242949
Wt: 707.9
BDBM50242955
Wt: 709.9
BDBM50242960
Displayed 1 to 15 (of 39 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 713,714,715,716,717,718,50209554,50209558,50209561,50209563,50242888,50242944,50242949,50242955,50242960   
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)
BDBM718
PNG
((4R)-3-[(2S,3S)-3-[(2-ethyl-3-hydroxyphenyl)formam...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C
Show InChI InChI=1S/C33H39N3O5S/c1-5-24-25(16-11-17-27(24)37)30(39)35-26(18-22-13-7-6-8-14-22)28(38)32(41)36-20-42-33(3,4)29(36)31(40)34-19-23-15-10-9-12-21(23)2/h6-17,26,28-29,37-38H,5,18-20H2,1-4H3,(H,34,40)(H,35,39)/t26-,28-,29+/m0/s1
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0.160 -13.9n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM717
PNG
((4R)-N-[(2-chlorophenyl)methyl]-3-[(2S,3S)-2-hydro...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C31H34ClN3O5S/c1-19-22(13-9-15-25(19)36)28(38)34-24(16-20-10-5-4-6-11-20)26(37)30(40)35-18-41-31(2,3)27(35)29(39)33-17-21-12-7-8-14-23(21)32/h4-15,24,26-27,36-37H,16-18H2,1-3H3,(H,33,39)(H,34,38)/t24-,26-,27+/m0/s1
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0.290 -13.5n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM715
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-3-[(2-ethyl-3-hydroxy...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C29H39N3O5S/c1-7-19-20(14-11-15-22(19)33)25(35)30-21(16-18-12-9-8-10-13-18)23(34)27(37)32-17-38-29(5,6)24(32)26(36)31-28(2,3)4/h8-15,21,23-24,33-34H,7,16-17H2,1-6H3,(H,30,35)(H,31,36)/t21-,23-,24+/m0/s1
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2.24 -12.3n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50209563
PNG
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)
Show SMILES COc1ccc(CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C38H46N4O7S2/c1-38(2)34(36(47)41-32-27-13-9-8-12-25(27)20-30(32)43)42(22-51-38)37(48)33(45)28(18-23-10-6-5-7-11-23)40-35(46)29(21-50-4)39-31(44)19-24-14-16-26(49-3)17-15-24/h5-17,28-30,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t28-,29-,30+,32-,33-,34+/m0/s1
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4n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2


Bioorg Med Chem Lett 17: 3048-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50209554
PNG
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)
Show SMILES CSC[C@H](NC(=O)Cc1cccc(O)c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H44N4O7S2/c1-37(2)33(35(47)40-31-26-15-8-7-13-24(26)19-29(31)43)41(21-50-37)36(48)32(45)27(17-22-10-5-4-6-11-22)39-34(46)28(20-49-3)38-30(44)18-23-12-9-14-25(42)16-23/h4-16,27-29,31-33,42-43,45H,17-21H2,1-3H3,(H,38,44)(H,39,46)(H,40,47)/t27-,28-,29+,31-,32-,33+/m0/s1
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4n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2


Bioorg Med Chem Lett 17: 3048-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM714
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydro...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/m0/s1
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5.14 -11.8n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM716
PNG
((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...)
Show SMILES Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1S/C30H33N3O5S/c1-19-9-6-7-12-22(19)16-31-29(37)25-17-39-18-33(25)30(38)27(35)24(15-21-10-4-3-5-11-21)32-28(36)23-13-8-14-26(34)20(23)2/h3-14,24-25,27,34-35H,15-18H2,1-2H3,(H,31,37)(H,32,36)/t24-,25-,27-/m0/s1
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8.91 -11.4n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50209561
PNG
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)
Show SMILES CSC[C@H](NC(=O)Cc1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H44N4O7S2/c1-37(2)33(35(47)40-31-25-15-9-7-13-23(25)18-29(31)43)41(21-50-37)36(48)32(45)26(17-22-11-5-4-6-12-22)39-34(46)27(20-49-3)38-30(44)19-24-14-8-10-16-28(24)42/h4-16,26-27,29,31-33,42-43,45H,17-21H2,1-3H3,(H,38,44)(H,39,46)(H,40,47)/t26-,27-,29+,31-,32-,33+/m0/s1
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16n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2


Bioorg Med Chem Lett 17: 3048-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50209558
PNG
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)
Show SMILES COc1cccc(CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1
Show InChI InChI=1S/C38H46N4O7S2/c1-38(2)34(36(47)41-32-27-16-9-8-14-25(27)20-30(32)43)42(22-51-38)37(48)33(45)28(18-23-11-6-5-7-12-23)40-35(46)29(21-50-4)39-31(44)19-24-13-10-15-26(17-24)49-3/h5-17,28-30,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t28-,29-,30+,32-,33-,34+/m0/s1
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17n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2


Bioorg Med Chem Lett 17: 3048-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM713
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydro...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C26H33N3O5S/c1-16-18(11-8-12-21(16)30)23(32)27-19(13-17-9-6-5-7-10-17)22(31)25(34)29-15-35-14-20(29)24(33)28-26(2,3)4/h5-12,19-20,22,30-31H,13-15H2,1-4H3,(H,27,32)(H,28,33)/t19-,20-,22-/m0/s1
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24.9 -10.8n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
Protease


(Human T-lymphotropic virus 1)
BDBM50242960
PNG
((R)-3-((2S,3S)-2-hydroxy-3-((S)-2-((S)-2-isobutyra...)
Show SMILES CC(C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C38H55N5O6S/c1-23(2)21-39-35(48)31-38(8,9)50-22-43(31)36(49)29(44)27(20-25-16-12-10-13-17-25)40-34(47)30(37(5,6)7)42-33(46)28(41-32(45)24(3)4)26-18-14-11-15-19-26/h10-19,23-24,27-31,44H,20-22H2,1-9H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t27-,28-,29-,30+,31+/m0/s1
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n/an/a 93.5n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease1


Bioorg Med Chem 16: 5795-802 (2008)


Article DOI: 10.1016/j.bmc.2008.03.055
BindingDB Entry DOI: 10.7270/Q2VT1RWS
More data for this
Ligand-Target Pair
Protease


(Human T-lymphotropic virus 1)
BDBM50242955
PNG
((R)-3-((2S,3S)-3-((S)-2-((S)-2-(cyclopropanecarbox...)
Show SMILES CC(C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1CC1)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C38H53N5O6S/c1-23(2)21-39-35(48)31-38(6,7)50-22-43(31)36(49)29(44)27(20-24-14-10-8-11-15-24)40-34(47)30(37(3,4)5)42-33(46)28(25-16-12-9-13-17-25)41-32(45)26-18-19-26/h8-17,23,26-31,44H,18-22H2,1-7H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t27-,28-,29-,30+,31+/m0/s1
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n/an/a 96.9n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease1


Bioorg Med Chem 16: 5795-802 (2008)


Article DOI: 10.1016/j.bmc.2008.03.055
BindingDB Entry DOI: 10.7270/Q2VT1RWS
More data for this
Ligand-Target Pair
Protease


(Human T-lymphotropic virus 1)
BDBM50242949
PNG
((R)-3-((2S,3S)-3-((S)-2-((S)-2-butyramido-2-phenyl...)
Show SMILES CCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C38H55N5O6S/c1-9-16-28(44)41-29(26-19-14-11-15-20-26)33(46)42-31(37(4,5)6)34(47)40-27(21-25-17-12-10-13-18-25)30(45)36(49)43-23-50-38(7,8)32(43)35(48)39-22-24(2)3/h10-15,17-20,24,27,29-32,45H,9,16,21-23H2,1-8H3,(H,39,48)(H,40,47)(H,41,44)(H,42,46)/t27-,29-,30-,31+,32+/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease1


Bioorg Med Chem 16: 5795-802 (2008)


Article DOI: 10.1016/j.bmc.2008.03.055
BindingDB Entry DOI: 10.7270/Q2VT1RWS
More data for this
Ligand-Target Pair
Protease


(Human T-lymphotropic virus 1)
BDBM50242944
PNG
((R)-3-((2S,3S)-3-((S)-3,3-dimethyl-2-((S)-2-phenyl...)
Show SMILES CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C37H53N5O6S/c1-9-27(43)40-28(25-18-14-11-15-19-25)32(45)41-30(36(4,5)6)33(46)39-26(20-24-16-12-10-13-17-24)29(44)35(48)42-22-49-37(7,8)31(42)34(47)38-21-23(2)3/h10-19,23,26,28-31,44H,9,20-22H2,1-8H3,(H,38,47)(H,39,46)(H,40,43)(H,41,45)/t26-,28-,29-,30+,31+/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease1


Bioorg Med Chem 16: 5795-802 (2008)


Article DOI: 10.1016/j.bmc.2008.03.055
BindingDB Entry DOI: 10.7270/Q2VT1RWS
More data for this
Ligand-Target Pair
Protease


(Human T-lymphotropic virus 1)
BDBM50242888
PNG
((R)-3-((2S,3S)-3-((S)-2-((S)-2-acetamido-2-phenyla...)
Show SMILES CC(C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H51N5O6S/c1-22(2)20-37-33(46)30-36(7,8)48-21-41(30)34(47)28(43)26(19-24-15-11-9-12-16-24)39-32(45)29(35(4,5)6)40-31(44)27(38-23(3)42)25-17-13-10-14-18-25/h9-18,22,26-30,43H,19-21H2,1-8H3,(H,37,46)(H,38,42)(H,39,45)(H,40,44)/t26-,27-,28-,29+,30+/m0/s1
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n/an/a 107n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease1


Bioorg Med Chem 16: 5795-802 (2008)


Article DOI: 10.1016/j.bmc.2008.03.055
BindingDB Entry DOI: 10.7270/Q2VT1RWS
More data for this
Ligand-Target Pair
Human T-cell leukemia virus type I protease


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50242888
PNG
((R)-3-((2S,3S)-3-((S)-2-((S)-2-acetamido-2-phenyla...)
Show SMILES CC(C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H51N5O6S/c1-22(2)20-37-33(46)30-36(7,8)48-21-41(30)34(47)28(43)26(19-24-15-11-9-12-16-24)39-32(45)29(35(4,5)6)40-31(44)27(38-23(3)42)25-17-13-10-14-18-25/h9-18,22,26-30,43H,19-21H2,1-8H3,(H,37,46)(H,38,42)(H,39,45)(H,40,44)/t26-,27-,28-,29+,30+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 107n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS


Bioorg Med Chem Lett 18: 366-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.066
BindingDB Entry DOI: 10.7270/Q2N58N78
More data for this
Ligand-Target Pair