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Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'bogyo' and Initial = 'm'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50410910
PNG
(CHEMBL377651)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2882-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.012
BindingDB Entry DOI: 10.7270/Q2H41SN2
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50410912
PNG
(CHEMBL379174)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C42H64N7O12PS/c43-19-10-9-17-39(62(55,60-31-11-3-1-4-12-31)61-32-13-5-2-6-14-32)48-41(53)33(29-36(44)50)46-38(52)18-21-56-23-25-58-27-28-59-26-24-57-22-20-45-37(51)16-8-7-15-35-40-34(30-63-35)47-42(54)49-40/h1-6,11-14,33-35,39-40H,7-10,15-30,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,48,53)(H2,47,49,54)/t33-,34-,35-,39-,40-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of beta tryptase


Bioorg Med Chem Lett 16: 2882-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.012
BindingDB Entry DOI: 10.7270/Q2H41SN2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50410910
PNG
(CHEMBL377651)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 16: 2882-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.012
BindingDB Entry DOI: 10.7270/Q2H41SN2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50410912
PNG
(CHEMBL379174)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C42H64N7O12PS/c43-19-10-9-17-39(62(55,60-31-11-3-1-4-12-31)61-32-13-5-2-6-14-32)48-41(53)33(29-36(44)50)46-38(52)18-21-56-23-25-58-27-28-59-26-24-57-22-20-45-37(51)16-8-7-15-35-40-34(30-63-35)47-42(54)49-40/h1-6,11-14,33-35,39-40H,7-10,15-30,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,48,53)(H2,47,49,54)/t33-,34-,35-,39-,40-/m0/s1
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4.03E+3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 16: 2882-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.012
BindingDB Entry DOI: 10.7270/Q2H41SN2
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50410910
PNG
(CHEMBL377651)
Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of beta tryptase


Bioorg Med Chem Lett 16: 2882-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.012
BindingDB Entry DOI: 10.7270/Q2H41SN2
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50410911
PNG
(CHEMBL377737)
Show SMILES CCOP(F)(=O)CCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C38H72FN4O12PS/c1-2-55-56(39,47)31-11-7-5-3-4-6-8-13-35(44)40-15-17-48-19-21-50-23-25-52-27-29-54-30-28-53-26-24-51-22-20-49-18-16-41-36(45)14-10-9-12-34-37-33(32-57-34)42-38(46)43-37/h33-34,37H,2-32H2,1H3,(H,40,44)(H,41,45)(H2,42,43,46)/t33-,34-,37-,56?/m0/s1
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7.90E+3n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2882-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.012
BindingDB Entry DOI: 10.7270/Q2H41SN2
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50410911
PNG
(CHEMBL377737)
Show SMILES CCOP(F)(=O)CCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C38H72FN4O12PS/c1-2-55-56(39,47)31-11-7-5-3-4-6-8-13-35(44)40-15-17-48-19-21-50-23-25-52-27-29-54-30-28-53-26-24-51-22-20-49-18-16-41-36(45)14-10-9-12-34-37-33(32-57-34)42-38(46)43-37/h33-34,37H,2-32H2,1H3,(H,40,44)(H,41,45)(H2,42,43,46)/t33-,34-,37-,56?/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of beta tryptase


Bioorg Med Chem Lett 16: 2882-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.012
BindingDB Entry DOI: 10.7270/Q2H41SN2
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50410911
PNG
(CHEMBL377737)
Show SMILES CCOP(F)(=O)CCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C38H72FN4O12PS/c1-2-55-56(39,47)31-11-7-5-3-4-6-8-13-35(44)40-15-17-48-19-21-50-23-25-52-27-29-54-30-28-53-26-24-51-22-20-49-18-16-41-36(45)14-10-9-12-34-37-33(32-57-34)42-38(46)43-37/h33-34,37H,2-32H2,1H3,(H,40,44)(H,41,45)(H2,42,43,46)/t33-,34-,37-,56?/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 16: 2882-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.012
BindingDB Entry DOI: 10.7270/Q2H41SN2
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50410912
PNG
(CHEMBL379174)
Show SMILES NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C42H64N7O12PS/c43-19-10-9-17-39(62(55,60-31-11-3-1-4-12-31)61-32-13-5-2-6-14-32)48-41(53)33(29-36(44)50)46-38(52)18-21-56-23-25-58-27-28-59-26-24-57-22-20-45-37(51)16-8-7-15-35-40-34(30-63-35)47-42(54)49-40/h1-6,11-14,33-35,39-40H,7-10,15-30,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,48,53)(H2,47,49,54)/t33-,34-,35-,39-,40-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 16: 2882-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.012
BindingDB Entry DOI: 10.7270/Q2H41SN2
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364367
PNG
(CHEMBL1950283)
Show SMILES CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(CC1)NC(C)=O |r|
Show InChI InChI=1S/C19H27N5O8/c1-3-31-17(29)14-13(32-14)16(28)24(9-12(20)26)22-15(27)11-5-4-8-23(11)18(30)19(6-7-19)21-10(2)25/h11,13-14H,3-9H2,1-2H3,(H2,20,26)(H,21,25)(H,22,27)/t11-,13?,14?/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364353
PNG
(CHEMBL1950109)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(C)=O |r|
Show InChI InChI=1S/C19H29N5O7/c1-4-13(21-12(3)25)19(30)23-10-6-7-14(23)18(29)22-24(11-15(20)26)16(27)8-9-17(28)31-5-2/h8-9,13-14H,4-7,10-11H2,1-3H3,(H2,20,26)(H,21,25)(H,22,29)/b9-8+/t13-,14-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36331
PNG
(Ac-YFR-AMOK 10b)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C36H44N6O7/c1-22-9-7-10-23(2)32(22)35(48)49-21-31(45)28(13-8-18-39-36(37)38)41-34(47)30(19-25-11-5-4-6-12-25)42-33(46)29(40-24(3)43)20-26-14-16-27(44)17-15-26/h4-7,9-12,14-17,28-30,44H,8,13,18-21H2,1-3H3,(H,40,43)(H,41,47)(H,42,46)(H4,37,38,39)/t28-,29-,30-/m0/s1
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n/an/a 7.30n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364366
PNG
(CHEMBL1950282)
Show SMILES CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(C)=O |r|
Show InChI InChI=1S/C19H29N5O8/c1-4-11(21-10(3)25)17(28)23-8-6-7-12(23)16(27)22-24(9-13(20)26)18(29)14-15(32-14)19(30)31-5-2/h11-12,14-15H,4-9H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)/t11-,12-,14?,15?/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM228618
PNG
(BDBM50364365 | US9345789, LI-2)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
Show InChI InChI=1/C15H22N4O6/c1-3-25-14(23)7-6-13(22)19(9-12(16)21)17-15(24)11-5-4-8-18(11)10(2)20/h6-7,11H,3-5,8-9H2,1-2H3,(H2,16,21)(H,17,24)/b7-6+/t11-/s2
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n/an/a 8.30n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364368
PNG
(CHEMBL1950284)
Show SMILES CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(C)=O |r|
Show InChI InChI=1S/C20H27N5O8/c1-4-7-12(22-11(3)26)18(29)24-9-6-8-13(24)17(28)23-25(10-14(21)27)19(30)15-16(33-15)20(31)32-5-2/h1,12-13,15-16H,5-10H2,2-3H3,(H2,21,27)(H,22,26)(H,23,28)/t12-,13-,15?,16?/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM36332
PNG
(LI-1 | Legumain Inhibitor -1)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364356
PNG
(CHEMBL1950112)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(CC1)NC(C)=O |r|
Show InChI InChI=1S/C19H27N5O7/c1-3-31-16(28)7-6-15(27)24(11-14(20)26)22-17(29)13-5-4-10-23(13)18(30)19(8-9-19)21-12(2)25/h6-7,13H,3-5,8-11H2,1-2H3,(H2,20,26)(H,21,25)(H,22,29)/b7-6+/t13-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))
BDBM228617
PNG
(US9345789, LI-0)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r|
Show InChI InChI=1/C21H26N2O7/c1-12-6-4-7-13(2)19(12)21(29)30-11-17(25)15(10-18(26)27)22-20(28)16-8-5-9-23(16)14(3)24/h4,6-7,15-16H,5,8-11H2,1-3H3,(H,22,28)(H,26,27)/t15-,16-/s2
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n/an/a 11.5n/an/an/an/a5.8n/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...


US Patent US9345789 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z63
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM36332
PNG
(LI-1 | Legumain Inhibitor -1)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1
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n/an/a 11.5n/an/an/an/a5.825



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36328
PNG
(Z-FR-AMOK 9b)
Show SMILES [#6]-c1cccc(-[#6])c1-[#6](=O)-[#8]-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C33H39N5O6/c1-22-11-9-12-23(2)29(22)31(41)43-21-28(39)26(17-10-18-36-32(34)35)37-30(40)27(19-24-13-5-3-6-14-24)38-33(42)44-20-25-15-7-4-8-16-25/h3-9,11-16,26-27H,10,17-21H2,1-2H3,(H,37,40)(H,38,42)(H4,34,35,36)/t26-,27-/m0/s1
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n/an/a 15n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364358
PNG
(CHEMBL1950273)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(C)=O |r|
Show InChI InChI=1S/C20H27N5O7/c1-4-7-14(22-13(3)26)20(31)24-11-6-8-15(24)19(30)23-25(12-16(21)27)17(28)9-10-18(29)32-5-2/h1,9-10,14-15H,5-8,11-12H2,2-3H3,(H2,21,27)(H,22,26)(H,23,30)/b10-9+/t14-,15-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81407
PNG
(ML4118 | ML4118R | ML4118S)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1 |w:4.3|
Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Chem Biol 17: 808-19 (2010)


Article DOI: 10.1016/j.chembiol.2010.06.007
BindingDB Entry DOI: 10.7270/Q2R20ZTG
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM36812
PNG
(CA-074)
Show SMILES CCCNC1OC1C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C17H29N3O5/c1-4-8-18-15-13(25-15)14(21)19-12(10(3)5-2)16(22)20-9-6-7-11(20)17(23)24/h10-13,15,18H,4-9H2,1-3H3,(H,19,21)(H,23,24)/t10?,11-,12+,13?,15?/m1/s1
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n/an/a 40n/an/an/an/a5.525



University of California, San Francisco



Assay Description
Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...


Chem Biol 7: 27-38 (2000)


Article DOI: 10.1124/jpet.104.078303
BindingDB Entry DOI: 10.7270/Q24B2ZN5
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM36813
PNG
(CA-074b)
Show SMILES CCC(C)[C@H](NC(=O)C1OC1NCC(C)C)C(=O)N1CCC[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C18H31N3O5/c1-5-11(4)13(17(23)21-8-6-7-12(21)18(24)25)20-15(22)14-16(26-14)19-9-10(2)3/h10-14,16,19H,5-9H2,1-4H3,(H,20,22)(H,24,25)/t11?,12-,13+,14?,16?/m1/s1
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n/an/a 60n/an/an/an/a5.525



University of California, San Francisco



Assay Description
Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...


Chem Biol 7: 27-38 (2000)


Article DOI: 10.1124/jpet.104.078303
BindingDB Entry DOI: 10.7270/Q24B2ZN5
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36327
PNG
(Z-FG-AOMK 9a)
Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H30N2O6/c1-20-10-9-11-21(2)26(20)28(34)36-19-24(32)17-30-27(33)25(16-22-12-5-3-6-13-22)31-29(35)37-18-23-14-7-4-8-15-23/h3-15,25H,16-19H2,1-2H3,(H,30,33)(H,31,35)
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n/an/a 120n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM228619
PNG
(US9345789, Z-DEVD-FMK)
Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF
Show InChI InChI=1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1
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n/an/a 130n/an/an/an/a5.8n/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...


US Patent US9345789 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z63
More data for this
Ligand-Target Pair
Caspase-3


(Mus musculus)
BDBM36335
PNG
(Z-DEVD-FMK)
Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)OCF
Show InChI InChI=1S/C30H41FN4O13/c1-17(2)25(28(41)33-21(14-24(38)46-5)29(42)48-16-31)35-26(39)19(11-12-22(36)44-3)32-27(40)20(13-23(37)45-4)34-30(43)47-15-18-9-7-6-8-10-18/h6-10,17,19-21,25H,11-16H2,1-5H3,(H,32,40)(H,33,41)(H,34,43)(H,35,39)/t19-,20-,21-,25-/m0/s1
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n/an/a 130n/an/an/an/a7.425



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364354
PNG
(CHEMBL1950110)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(\NC(C)=O)=C\C |r|
Show InChI InChI=1S/C19H27N5O7/c1-4-13(21-12(3)25)19(30)23-10-6-7-14(23)18(29)22-24(11-15(20)26)16(27)8-9-17(28)31-5-2/h4,8-9,14H,5-7,10-11H2,1-3H3,(H2,20,26)(H,21,25)(H,22,29)/b9-8+,13-4-/t14-/m0/s1
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n/an/a 141n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))
BDBM228617
PNG
(US9345789, LI-0)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r|
Show InChI InChI=1/C21H26N2O7/c1-12-6-4-7-13(2)19(12)21(29)30-11-17(25)15(10-18(26)27)22-20(28)16-8-5-9-23(16)14(3)24/h4,6-7,15-16H,5,8-11H2,1-3H3,(H,22,28)(H,26,27)/t15-,16-/s2
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n/an/a 145n/an/an/an/a5.8n/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...


US Patent US9345789 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z63
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364355
PNG
(CHEMBL1950111)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)\[#6]=[#6]\[#6](=O)-[#7](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](\[#7]-[#6](-[#6])=O)=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C20H29N5O7/c1-5-32-17(29)9-8-16(28)25(11-15(21)27)23-19(30)14-7-6-10-24(14)20(31)18(12(2)3)22-13(4)26/h8-9,14H,5-7,10-11H2,1-4H3,(H2,21,27)(H,22,26)(H,23,30)/b9-8+/t14-/m0/s1
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n/an/a 148n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364360
PNG
(CHEMBL1950275)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSCN1C(C)=O |r|
Show InChI InChI=1S/C19H27N5O7S/c1-3-31-17(28)7-6-16(27)24(9-15(20)26)21-18(29)13-5-4-8-22(13)19(30)14-10-32-11-23(14)12(2)25/h6-7,13-14H,3-5,8-11H2,1-2H3,(H2,20,26)(H,21,29)/b7-6+/t13-,14+/m0/s1
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n/an/a 167n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81407
PNG
(ML4118 | ML4118R | ML4118S)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1 |w:4.3|
Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3
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n/an/a 186n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Chem Biol 17: 808-19 (2010)


Article DOI: 10.1016/j.chembiol.2010.06.007
BindingDB Entry DOI: 10.7270/Q2R20ZTG
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364357
PNG
(CHEMBL1950272)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(C)=O |r|
Show InChI InChI=1S/C19H29N5O7/c1-5-31-16(28)9-8-15(27)24(11-14(20)26)22-17(29)13-7-6-10-23(13)18(30)19(3,4)21-12(2)25/h8-9,13H,5-7,10-11H2,1-4H3,(H2,20,26)(H,21,25)(H,22,29)/b9-8+/t13-/m0/s1
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n/an/a 198n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM36330
PNG
(AC-YFG-AMOK 10a)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C32H35N3O7/c1-20-8-7-9-21(2)29(20)32(41)42-19-26(38)18-33-30(39)27(16-23-10-5-4-6-11-23)35-31(40)28(34-22(3)36)17-24-12-14-25(37)15-13-24/h4-15,27-28,37H,16-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,40)/t27-,28-/m0/s1
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n/an/a 220n/an/an/an/a5.537



Stanford University



Assay Description
Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H


Nat Chem Biol 1: 33-8 (2005)


Article DOI: 10.1038/nchembio707
BindingDB Entry DOI: 10.7270/Q22V2DGV
More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM81515
PNG
(VEA-499)
Show SMILES C[C@H](O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(O)c(c1)N(=O)=O)C(=O)NCC(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12 |r|
Show InChI InChI=1S/C37H38N6O12/c1-20(44)34(42-35(50)27(11-13-30(38)47)41-31(48)15-21-10-12-29(46)28(14-21)43(53)54)36(51)40-18-32(49)39-17-24(45)19-55-37(52)33-25-8-4-2-6-22(25)16-23-7-3-5-9-26(23)33/h2-10,12,14,16,20,27,34,44,46H,11,13,15,17-19H2,1H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,48)(H,42,50)/t20-,27-,34?/m0/s1
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n/an/a 250n/an/an/an/a8.037



Stanford University



Assay Description
The fluorogenic substrate library screen was performed with hSENP1 in low salt tris buffer at final concentration of 2uM. Fluorophore release (AFC) ...


Chem Biol 18: 722-32 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.008
BindingDB Entry DOI: 10.7270/Q2542M2N
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364363
PNG
(CHEMBL1950278)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(CNC(C)=O)cc1 |r|
Show InChI InChI=1S/C23H29N5O7/c1-3-35-21(32)11-10-20(31)28(14-19(24)30)26-22(33)18-5-4-12-27(18)23(34)17-8-6-16(7-9-17)13-25-15(2)29/h6-11,18H,3-5,12-14H2,1-2H3,(H2,24,30)(H,25,29)(H,26,33)/b11-10+/t18-/m0/s1
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n/an/a 267n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM36814
PNG
(MB-074)
Show SMILES CCC(C)[C@H](NC(=O)C1OC1NCCc1ccc(O)cc1)C(=O)N1OCC[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C21H29N3O7/c1-3-12(2)16(20(27)24-15(21(28)29)9-11-30-24)23-18(26)17-19(31-17)22-10-8-13-4-6-14(25)7-5-13/h4-7,12,15-17,19,22,25H,3,8-11H2,1-2H3,(H,23,26)(H,28,29)/t12?,15-,16+,17?,19?/m1/s1
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n/an/a 400n/an/an/an/a5.525



University of California, San Francisco



Assay Description
Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...


Chem Biol 7: 27-38 (2000)


Article DOI: 10.1124/jpet.104.078303
BindingDB Entry DOI: 10.7270/Q24B2ZN5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81405
PNG
(ML4123)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)CCC |w:4.3|
Show InChI InChI=1S/C20H26F4N4O2/c1-4-6-7-14(28-10-16(26-27-28)20(3,25)8-5-2)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14H,4-8,11,25H2,1-3H3
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n/an/a 410n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Chem Biol 17: 808-19 (2010)


Article DOI: 10.1016/j.chembiol.2010.06.007
BindingDB Entry DOI: 10.7270/Q2R20ZTG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81404
PNG
(ML4161)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)(CC)CC |w:4.3|
Show InChI InChI=1S/C20H26F4N4O2/c1-4-7-8-14(28-10-16(26-27-28)20(25,5-2)6-3)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14H,4-8,11,25H2,1-3H3
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n/an/a 410n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Chem Biol 17: 808-19 (2010)


Article DOI: 10.1016/j.chembiol.2010.06.007
BindingDB Entry DOI: 10.7270/Q2R20ZTG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81414
PNG
(ML6076)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(C)CCCN1 |w:4.3|
Show InChI InChI=1S/C20H24F4N4O2/c1-3-4-6-14(28-10-16(26-27-28)20(2)7-5-8-25-20)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14,25H,3-8,11H2,1-2H3
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n/an/a 420n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Chem Biol 17: 808-19 (2010)


Article DOI: 10.1016/j.chembiol.2010.06.007
BindingDB Entry DOI: 10.7270/Q2R20ZTG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81403
PNG
(HN3019)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCCCC1 |w:4.3|
Show InChI InChI=1S/C21H26F4N4O2/c1-2-3-7-15(29-11-17(27-28-29)21(26)8-5-4-6-9-21)16(30)12-31-20-18(24)13(22)10-14(23)19(20)25/h10-11,15H,2-9,12,26H2,1H3
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n/an/a 560n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Chem Biol 17: 808-19 (2010)


Article DOI: 10.1016/j.chembiol.2010.06.007
BindingDB Entry DOI: 10.7270/Q2R20ZTG
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM50364359
PNG
(CHEMBL1950274)
Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)=O |r|
Show InChI InChI=1S/C21H31N5O7/c1-3-33-19(30)10-9-18(29)26(13-17(22)28)23-20(31)15-8-6-12-25(15)21(32)16-7-4-5-11-24(16)14(2)27/h9-10,15-16H,3-8,11-13H2,1-2H3,(H2,22,28)(H,23,31)/b10-9+/t15-,16+/m0/s1
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n/an/a 638n/an/an/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry


Bioorg Med Chem Lett 22: 1340-3 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.079
BindingDB Entry DOI: 10.7270/Q2H132GV
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81406
PNG
(ML4124)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)(CCC)CCC |w:4.3|
Show InChI InChI=1S/C22H30F4N4O2/c1-4-7-8-16(30-12-18(28-29-30)22(27,9-5-2)10-6-3)17(31)13-32-21-19(25)14(23)11-15(24)20(21)26/h11-12,16H,4-10,13,27H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Chem Biol 17: 808-19 (2010)


Article DOI: 10.1016/j.chembiol.2010.06.007
BindingDB Entry DOI: 10.7270/Q2R20ZTG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81397
PNG
(ML4057)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)N |w:4.3|
Show InChI InChI=1S/C17H20F4N4O2/c1-3-4-5-13(25-7-12(9(2)22)23-24-25)14(26)8-27-17-15(20)10(18)6-11(19)16(17)21/h6-7,9,13H,3-5,8,22H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Chem Biol 17: 808-19 (2010)


Article DOI: 10.1016/j.chembiol.2010.06.007
BindingDB Entry DOI: 10.7270/Q2R20ZTG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Mus musculus)
BDBM81399
PNG
(ML4046A)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(N)C1CCCCC1 |r,w:4.3|
Show InChI InChI=1S/C23H30F4N4O2/c1-3-4-10-17(18(32)13-33-22-20(26)15(24)11-16(25)21(22)27)31-12-19(29-30-31)23(2,28)14-8-6-5-7-9-14/h11-12,14,17H,3-10,13,28H2,1-2H3/t17?,23-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Stanford School of Medicine



Assay Description
DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...


Chem Biol 17: 808-19 (2010)


Article DOI: 10.1016/j.chembiol.2010.06.007
BindingDB Entry DOI: 10.7270/Q2R20ZTG
More data for this
Ligand-Target Pair
Legumain


(Mus musculus)
BDBM36333
PNG
(LI-0 | Legumain Inhibitor -0)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O |r|
Show InChI InChI=1S/C21H28N2O6/c1-13-6-4-7-14(2)19(13)21(28)29-11-9-16(12-18(25)26)22-20(27)17-8-5-10-23(17)15(3)24/h4,6-7,16-17H,5,8-12H2,1-3H3,(H,22,27)(H,25,26)/t16-,17+/m1/s1
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n/an/a 704n/an/an/an/a5.825



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair
Legumain


(Homo sapiens (Human))
BDBM228617
PNG
(US9345789, LI-0)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r|
Show InChI InChI=1/C21H26N2O7/c1-12-6-4-7-13(2)19(12)21(29)30-11-17(25)15(10-18(26)27)22-20(28)16-8-5-9-23(16)14(3)24/h4,6-7,15-16H,5,8-11H2,1-3H3,(H,22,28)(H,26,27)/t15-,16-/s2
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n/an/a 704n/an/an/an/a5.8n/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...


US Patent US9345789 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z63
More data for this
Ligand-Target Pair
Cathepsin B


(Mus musculus)
BDBM36334
PNG
(CID644294 | JPM 565 | JPM-OEt | US9345789, JPM-Oet)
Show SMILES [H][C@](NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)(C(C)CC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C20H28N2O6/c1-4-12(3)15(22-19(25)16-17(28-16)20(26)27-5-2)18(24)21-11-10-13-6-8-14(23)9-7-13/h6-9,12,15-17,23H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25)/t12?,15-,16-,17-/m0/s1
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n/an/a 780n/an/an/an/a6.2525



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM36334
PNG
(CID644294 | JPM 565 | JPM-OEt | US9345789, JPM-Oet)
Show SMILES [H][C@](NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)(C(C)CC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C20H28N2O6/c1-4-12(3)15(22-19(25)16-17(28-16)20(26)27-5-2)18(24)21-11-10-13-6-8-14(23)9-7-13/h6-9,12,15-17,23H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25)/t12?,15-,16-,17-/m0/s1
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n/an/a 780n/an/an/an/a5.8n/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...


US Patent US9345789 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z63
More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM81516
PNG
(VEA-500)
Show SMILES C[C@H](O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(O)c(c1)N(=O)=O)C(=O)NCC(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12 |r|
Show InChI InChI=1S/C42H46N8O14/c1-22(51)38(41(60)46-20-36(57)45-19-26(52)21-64-42(61)37-27-8-4-2-6-24(27)18-25-7-3-5-9-28(25)37)49-40(59)30(12-15-34(44)55)48-39(58)29(11-14-33(43)54)47-35(56)17-23-10-13-32(53)31(16-23)50(62)63/h2-10,13,16,18,22,29-30,38,51,53H,11-12,14-15,17,19-21H2,1H3,(H2,43,54)(H2,44,55)(H,45,57)(H,46,60)(H,47,56)(H,48,58)(H,49,59)/t22-,29-,30-,38?/m0/s1
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n/an/a 860n/an/an/an/a8.037



Stanford University



Assay Description
The fluorogenic substrate library screen was performed with hSENP1 in low salt tris buffer at final concentration of 2uM. Fluorophore release (AFC) ...


Chem Biol 18: 722-32 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.008
BindingDB Entry DOI: 10.7270/Q2542M2N
More data for this
Ligand-Target Pair
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