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PubMed code 18362041

Compile data set for download or QSAR
Found 59 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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247269
PNG
((2S,4S)-4-(3,4,5-Trimethoxybenzamido)-1-acetyl-Nhy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@H](N(C1)C(C)=O)C(=O)NO |r|
Show InChI InChI=1S/C17H23N3O7/c1-9(21)20-8-11(7-12(20)17(23)19-24)18-16(22)10-5-13(25-2)15(27-4)14(6-10)26-3/h5-6,11-12,24H,7-8H2,1-4H3,(H,18,22)(H,19,23)/t11-,12-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247519
PNG
((2S,4S)-1-Acetyl-4-(cinnamamido)-N-hydroxypyrrolid...)
Show SMILES CC(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C16H19N3O4/c1-11(20)19-10-13(9-14(19)16(22)18-23)17-15(21)8-7-12-5-3-2-4-6-12/h2-8,13-14,23H,9-10H2,1H3,(H,17,21)(H,18,22)/b8-7+/t13-,14-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247270
PNG
(CHEMBL472906 | N-((3S,5S)-5-(Hydroxycarbamoyl)-1-a...)
Show SMILES CC(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C13H16N4O4/c1-8(18)17-7-10(5-11(17)13(20)16-21)15-12(19)9-3-2-4-14-6-9/h2-4,6,10-11,21H,5,7H2,1H3,(H,15,19)(H,16,20)/t10-,11-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247539
PNG
(CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...)
Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r|
Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247521
PNG
((2S,4S)-1-(3-(3,4-Dimethoxyphenyl)propanoyl)-4-(ci...)
Show SMILES COc1ccc(CCC(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)\C=C\c2ccccc2)cc1OC |r|
Show InChI InChI=1S/C25H29N3O6/c1-33-21-11-8-18(14-22(21)34-2)10-13-24(30)28-16-19(15-20(28)25(31)27-32)26-23(29)12-9-17-6-4-3-5-7-17/h3-9,11-12,14,19-20,32H,10,13,15-16H2,1-2H3,(H,26,29)(H,27,31)/b12-9+/t19-,20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247520
PNG
(CHEMBL514309 | N-((3S,5S)-5-(Hydroxycarbamoyl)-1-(...)
Show SMILES COc1ccc(CCC(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r|
Show InChI InChI=1S/C22H26N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-5,7,9-10,12,16-17,30H,6,8,11,13H2,1-2H3,(H,24,28)(H,25,29)/t16-,17-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247522
PNG
((2S,4S)-4-(3,4,5-trimethoxybenzamido)-1-acetylpyrr...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@H](N(C1)C(C)=O)C(O)=O |r|
Show InChI InChI=1S/C17H22N2O7/c1-9(20)19-8-11(7-12(19)17(22)23)18-16(21)10-5-13(24-2)15(26-4)14(6-10)25-3/h5-6,11-12H,7-8H2,1-4H3,(H,18,21)(H,22,23)/t11-,12-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247517
PNG
((2S,4S)-Methyl 4-(3,4,5-trimethoxybenzamido)-1-ace...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C18H24N2O7/c1-10(21)20-9-12(8-13(20)18(23)27-5)19-17(22)11-6-14(24-2)16(26-4)15(7-11)25-3/h6-7,12-13H,8-9H2,1-5H3,(H,19,22)/t12-,13-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247218
PNG
((2S,4S)-Methyl 1-acetyl-4-(cinnamamido)pyrrolidine...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C17H20N2O4/c1-12(20)19-11-14(10-15(19)17(22)23-2)18-16(21)9-8-13-6-4-3-5-7-13/h3-9,14-15H,10-11H2,1-2H3,(H,18,21)/b9-8+/t14-,15-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247523
PNG
(CHEMBL473732 | methyl 2-((2S,4S)-4-(3,4,5-trimetho...)
Show SMILES COC(=O)CNC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C20H27N3O8/c1-11(24)23-10-13(8-14(23)20(27)21-9-17(25)30-4)22-19(26)12-6-15(28-2)18(31-5)16(7-12)29-3/h6-7,13-14H,8-10H2,1-5H3,(H,21,27)(H,22,26)/t13-,14-/m0/s1
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n/an/a 109n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247265
PNG
((3R,5S)-5-(methoxycarbonyl)-1-acetylpyrrolidin-3-y...)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1C(C)=O)OS(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C15H19NO6S/c1-10-4-6-13(7-5-10)23(19,20)22-12-8-14(15(18)21-3)16(9-12)11(2)17/h4-7,12,14H,8-9H2,1-3H3/t12-,14+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247219
PNG
((2S,4S)-Methyl 4-((E)-3-(3,4-dimethoxyphenyl)acryl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)\C=C\c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C19H24N2O6/c1-12(22)21-11-14(10-15(21)19(24)27-4)20-18(23)8-6-13-5-7-16(25-2)17(9-13)26-3/h5-9,14-15H,10-11H2,1-4H3,(H,20,23)/b8-6+/t14-,15-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247518
PNG
((2S,4S)-Methyl 1-acetyl-4-(nicotinamido)pyrrolidin...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C14H17N3O4/c1-9(18)17-8-11(6-12(17)14(20)21-2)16-13(19)10-4-3-5-15-7-10/h3-5,7,11-12H,6,8H2,1-2H3,(H,16,19)/t11-,12-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247492
PNG
((3R,5S)-5-(methoxycarbonyl)-1-((E)-3-(3,4-dimethox...)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1C(=O)\C=C\c1ccc(OC)c(OC)c1)OS(C)(=O)=O |r|
Show InChI InChI=1S/C18H23NO8S/c1-24-15-7-5-12(9-16(15)25-2)6-8-17(20)19-11-13(27-28(4,22)23)10-14(19)18(21)26-3/h5-9,13-14H,10-11H2,1-4H3/b8-6+/t13-,14+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247495
PNG
((2S,4S)-methyl 1-acetyl-4-aminopyrrolidine-2-carbo...)
Show SMILES COC(=O)[C@@H]1C[C@H](N)CN1C(C)=O |r|
Show InChI InChI=1S/C8H14N2O3/c1-5(11)10-4-6(9)3-7(10)8(12)13-2/h6-7H,3-4,9H2,1-2H3/t6-,7-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247268
PNG
((2S,4S)-Methyl 1-(3-(3,4-dimethoxyphenyl)propanoyl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)CCc1ccc(OC)c(OC)c1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C26H30N2O6/c1-32-22-12-9-19(15-23(22)33-2)11-14-25(30)28-17-20(16-21(28)26(31)34-3)27-24(29)13-10-18-7-5-4-6-8-18/h4-10,12-13,15,20-21H,11,14,16-17H2,1-3H3,(H,27,29)/b13-10+/t20-,21-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247263
PNG
((2S,4R)-methyl 1-acetyl-4-hydroxypyrrolidine-2-car...)
Show SMILES COC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O |r|
Show InChI InChI=1S/C8H13NO4/c1-5(10)9-4-6(11)3-7(9)8(12)13-2/h6-7,11H,3-4H2,1-2H3/t6-,7+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247217
PNG
((2S,4S)-Methyl 1-acetyl-4-(pyrazine-2-carboxamido)...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C13H16N4O4/c1-8(18)17-7-9(5-11(17)13(20)21-2)16-12(19)10-6-14-3-4-15-10/h3-4,6,9,11H,5,7H2,1-2H3,(H,16,19)/t9-,11-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247497
PNG
((2S,4S)-methyl 1-(3-(3,4-dimethoxyphenyl)propanoyl...)
Show SMILES COC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCc1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C17H24N2O5/c1-22-14-6-4-11(8-15(14)23-2)5-7-16(20)19-10-12(18)9-13(19)17(21)24-3/h4,6,8,12-13H,5,7,9-10,18H2,1-3H3/t12-,13-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247267
PNG
((2S,4S)-Methyl 1-(3-(3,4-dimethoxyphenyl)propanoyl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)CCc1ccc(OC)c(OC)c1)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C23H27N3O6/c1-30-19-8-6-15(11-20(19)31-2)7-9-21(27)26-14-17(12-18(26)23(29)32-3)25-22(28)16-5-4-10-24-13-16/h4-6,8,10-11,13,17-18H,7,9,12,14H2,1-3H3,(H,25,28)/t17-,18-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247216
PNG
((2S,4S)-Methyl 1-acetyl-4-(isonicotinamido)pyrroli...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccncc1 |r|
Show InChI InChI=1S/C14H17N3O4/c1-9(18)17-8-11(7-12(17)14(20)21-2)16-13(19)10-3-5-15-6-4-10/h3-6,11-12H,7-8H2,1-2H3,(H,16,19)/t11-,12-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247493
PNG
((2S,4S)-methyl 1-acetyl-4-azidopyrrolidine-2-carbo...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)N=[N+]=[N-] |r|
Show InChI InChI=1S/C8H12N4O3/c1-5(13)12-4-6(10-11-9)3-7(12)8(14)15-2/h6-7H,3-4H2,1-2H3/t6-,7-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247513
PNG
((2S,4S)-Methyl 1-acetyl-4-(benzamido)pyrrolidine-2...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C15H18N2O4/c1-10(18)17-9-12(8-13(17)15(20)21-2)16-14(19)11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3,(H,16,19)/t12-,13-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247264
PNG
((2S,4R)-methyl 4-hydroxy-1-((E)-3-(3,4-dimethoxyph...)
Show SMILES COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)\C=C\c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C17H21NO6/c1-22-14-6-4-11(8-15(14)23-2)5-7-16(20)18-10-12(19)9-13(18)17(21)24-3/h4-8,12-13,19H,9-10H2,1-3H3/b7-5+/t12-,13+/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247266
PNG
((2S,4S)-Methyl 1-((E)-3-(3,4-dimethoxyphenyl)acryl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)\C=C\c1ccc(OC)c(OC)c1)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C23H25N3O6/c1-30-19-8-6-15(11-20(19)31-2)7-9-21(27)26-14-17(12-18(26)23(29)32-3)25-22(28)16-5-4-10-24-13-16/h4-11,13,17-18H,12,14H2,1-3H3,(H,25,28)/b9-7+/t17-,18-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247494
PNG
((2S,4S)-methyl 4-azido-1-((E)-3-(3,4-dimethoxyphen...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)\C=C\c1ccc(OC)c(OC)c1)N=[N+]=[N-] |r|
Show InChI InChI=1S/C17H20N4O5/c1-24-14-6-4-11(8-15(14)25-2)5-7-16(22)21-10-12(19-20-18)9-13(21)17(23)26-3/h4-8,12-13H,9-10H2,1-3H3/b7-5+/t12-,13-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247514
PNG
((2S,4S)-Methyl 4-(4-chlorobenzamido)-1-acetylpyrro...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H17ClN2O4/c1-9(19)18-8-12(7-13(18)15(21)22-2)17-14(20)10-3-5-11(16)6-4-10/h3-6,12-13H,7-8H2,1-2H3,(H,17,20)/t12-,13-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247516
PNG
((2S,4S)-Methyl 4-(4-nitrobenzamido)-1-acetylpyrrol...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H17N3O6/c1-9(19)17-8-11(7-13(17)15(21)24-2)16-14(20)10-3-5-12(6-4-10)18(22)23/h3-6,11,13H,7-8H2,1-2H3,(H,16,20)/t11-,13-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247515
PNG
((2S,4S)-Methyl 4-(4-bromobenzamido)-1-acetylpyrrol...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C15H17BrN2O4/c1-9(19)18-8-12(7-13(18)15(21)22-2)17-14(20)10-3-5-11(16)6-4-10/h3-6,12-13H,7-8H2,1-2H3,(H,17,20)/t12-,13-/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247495
PNG
((2S,4S)-methyl 1-acetyl-4-aminopyrrolidine-2-carbo...)
Show SMILES COC(=O)[C@@H]1C[C@H](N)CN1C(C)=O |r|
Show InChI InChI=1S/C8H14N2O3/c1-5(11)10-4-6(9)3-7(10)8(12)13-2/h6-7H,3-4,9H2,1-2H3/t6-,7-/m0/s1
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n/an/a 2.41E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247270
PNG
(CHEMBL472906 | N-((3S,5S)-5-(Hydroxycarbamoyl)-1-a...)
Show SMILES CC(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C13H16N4O4/c1-8(18)17-7-10(5-11(17)13(20)16-21)15-12(19)9-3-2-4-14-6-9/h2-4,6,10-11,21H,5,7H2,1H3,(H,15,19)(H,16,20)/t10-,11-/m0/s1
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n/an/a 2.98E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247265
PNG
((3R,5S)-5-(methoxycarbonyl)-1-acetylpyrrolidin-3-y...)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1C(C)=O)OS(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C15H19NO6S/c1-10-4-6-13(7-5-10)23(19,20)22-12-8-14(15(18)21-3)16(9-12)11(2)17/h4-7,12,14H,8-9H2,1-3H3/t12-,14+/m1/s1
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n/an/a 3.04E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247269
PNG
((2S,4S)-4-(3,4,5-Trimethoxybenzamido)-1-acetyl-Nhy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@H](N(C1)C(C)=O)C(=O)NO |r|
Show InChI InChI=1S/C17H23N3O7/c1-9(21)20-8-11(7-12(20)17(23)19-24)18-16(22)10-5-13(25-2)15(27-4)14(6-10)26-3/h5-6,11-12,24H,7-8H2,1-4H3,(H,18,22)(H,19,23)/t11-,12-/m0/s1
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n/an/a 3.35E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247263
PNG
((2S,4R)-methyl 1-acetyl-4-hydroxypyrrolidine-2-car...)
Show SMILES COC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O |r|
Show InChI InChI=1S/C8H13NO4/c1-5(10)9-4-6(11)3-7(9)8(12)13-2/h6-7,11H,3-4H2,1-2H3/t6-,7+/m1/s1
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n/an/a 3.86E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247492
PNG
((3R,5S)-5-(methoxycarbonyl)-1-((E)-3-(3,4-dimethox...)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1C(=O)\C=C\c1ccc(OC)c(OC)c1)OS(C)(=O)=O |r|
Show InChI InChI=1S/C18H23NO8S/c1-24-15-7-5-12(9-16(15)25-2)6-8-17(20)19-11-13(27-28(4,22)23)10-14(19)18(21)26-3/h5-9,13-14H,10-11H2,1-4H3/b8-6+/t13-,14+/m1/s1
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n/an/a 4.66E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247522
PNG
((2S,4S)-4-(3,4,5-trimethoxybenzamido)-1-acetylpyrr...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@H](N(C1)C(C)=O)C(O)=O |r|
Show InChI InChI=1S/C17H22N2O7/c1-9(20)19-8-11(7-12(19)17(22)23)18-16(21)10-5-13(24-2)15(26-4)14(6-10)25-3/h5-6,11-12H,7-8H2,1-4H3,(H,18,21)(H,22,23)/t11-,12-/m0/s1
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n/an/a 5.14E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247519
PNG
((2S,4S)-1-Acetyl-4-(cinnamamido)-N-hydroxypyrrolid...)
Show SMILES CC(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C16H19N3O4/c1-11(20)19-10-13(9-14(19)16(22)18-23)17-15(21)8-7-12-5-3-2-4-6-12/h2-8,13-14,23H,9-10H2,1H3,(H,17,21)(H,18,22)/b8-7+/t13-,14-/m0/s1
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n/an/a 5.61E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247520
PNG
(CHEMBL514309 | N-((3S,5S)-5-(Hydroxycarbamoyl)-1-(...)
Show SMILES COc1ccc(CCC(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r|
Show InChI InChI=1S/C22H26N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-5,7,9-10,12,16-17,30H,6,8,11,13H2,1-2H3,(H,24,28)(H,25,29)/t16-,17-/m0/s1
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n/an/a 6.22E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247497
PNG
((2S,4S)-methyl 1-(3-(3,4-dimethoxyphenyl)propanoyl...)
Show SMILES COC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCc1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C17H24N2O5/c1-22-14-6-4-11(8-15(14)23-2)5-7-16(20)19-10-12(18)9-13(19)17(21)24-3/h4,6,8,12-13H,5,7,9-10,18H2,1-3H3/t12-,13-/m0/s1
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n/an/a 6.84E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247496
PNG
((2S,4S)-methyl 4-amino-1-((E)-3-(3,4-dimethoxyphen...)
Show SMILES COC(=O)[C@@H]1C[C@H](N)CN1C(=O)\C=C\c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C17H22N2O5/c1-22-14-6-4-11(8-15(14)23-2)5-7-16(20)19-10-12(18)9-13(19)17(21)24-3/h4-8,12-13H,9-10,18H2,1-3H3/b7-5+/t12-,13-/m0/s1
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n/an/a 7.06E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247494
PNG
((2S,4S)-methyl 4-azido-1-((E)-3-(3,4-dimethoxyphen...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)\C=C\c1ccc(OC)c(OC)c1)N=[N+]=[N-] |r|
Show InChI InChI=1S/C17H20N4O5/c1-24-14-6-4-11(8-15(14)25-2)5-7-16(22)21-10-12(19-20-18)9-13(21)17(23)26-3/h4-8,12-13H,9-10H2,1-3H3/b7-5+/t12-,13-/m0/s1
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n/an/a 7.13E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247516
PNG
((2S,4S)-Methyl 4-(4-nitrobenzamido)-1-acetylpyrrol...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H17N3O6/c1-9(19)17-8-11(7-13(17)15(21)24-2)16-14(20)10-3-5-12(6-4-10)18(22)23/h3-6,11,13H,7-8H2,1-2H3,(H,16,20)/t11-,13-/m0/s1
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n/an/a 7.23E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247493
PNG
((2S,4S)-methyl 1-acetyl-4-azidopyrrolidine-2-carbo...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)N=[N+]=[N-] |r|
Show InChI InChI=1S/C8H12N4O3/c1-5(13)12-4-6(10-11-9)3-7(12)8(14)15-2/h6-7H,3-4H2,1-2H3/t6-,7-/m0/s1
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n/an/a 7.37E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247216
PNG
((2S,4S)-Methyl 1-acetyl-4-(isonicotinamido)pyrroli...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccncc1 |r|
Show InChI InChI=1S/C14H17N3O4/c1-9(18)17-8-11(7-12(17)14(20)21-2)16-13(19)10-3-5-15-6-4-10/h3-6,11-12H,7-8H2,1-2H3,(H,16,19)/t11-,12-/m0/s1
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n/an/a 7.48E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247518
PNG
((2S,4S)-Methyl 1-acetyl-4-(nicotinamido)pyrrolidin...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C14H17N3O4/c1-9(18)17-8-11(6-12(17)14(20)21-2)16-13(19)10-4-3-5-15-7-10/h3-5,7,11-12H,6,8H2,1-2H3,(H,16,19)/t11-,12-/m0/s1
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n/an/a 7.84E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247264
PNG
((2S,4R)-methyl 4-hydroxy-1-((E)-3-(3,4-dimethoxyph...)
Show SMILES COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)\C=C\c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C17H21NO6/c1-22-14-6-4-11(8-15(14)23-2)5-7-16(20)18-10-12(19)9-13(18)17(21)24-3/h4-8,12-13,19H,9-10H2,1-3H3/b7-5+/t12-,13+/m1/s1
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n/an/a 8.18E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247217
PNG
((2S,4S)-Methyl 1-acetyl-4-(pyrazine-2-carboxamido)...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C13H16N4O4/c1-8(18)17-7-9(5-11(17)13(20)21-2)16-12(19)10-6-14-3-4-15-10/h3-4,6,9,11H,5,7H2,1-2H3,(H,16,19)/t9-,11-/m0/s1
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n/an/a 8.26E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247521
PNG
((2S,4S)-1-(3-(3,4-Dimethoxyphenyl)propanoyl)-4-(ci...)
Show SMILES COc1ccc(CCC(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)\C=C\c2ccccc2)cc1OC |r|
Show InChI InChI=1S/C25H29N3O6/c1-33-21-11-8-18(14-22(21)34-2)10-13-24(30)28-16-19(15-20(28)25(31)27-32)26-23(29)12-9-17-6-4-3-5-7-17/h3-9,11-12,14,19-20,32H,10,13,15-16H2,1-2H3,(H,26,29)(H,27,31)/b12-9+/t19-,20-/m0/s1
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n/an/a 9.66E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247517
PNG
((2S,4S)-Methyl 4-(3,4,5-trimethoxybenzamido)-1-ace...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C18H24N2O7/c1-10(21)20-9-12(8-13(20)18(23)27-5)19-17(22)11-6-14(24-2)16(26-4)15(7-11)25-3/h6-7,12-13H,8-9H2,1-5H3,(H,19,22)/t12-,13-/m0/s1
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n/an/a 9.84E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247523
PNG
(CHEMBL473732 | methyl 2-((2S,4S)-4-(3,4,5-trimetho...)
Show SMILES COC(=O)CNC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C20H27N3O8/c1-11(24)23-10-13(8-14(23)20(27)21-9-17(25)30-4)22-19(26)12-6-15(28-2)18(31-5)16(7-12)29-3/h6-7,13-14H,8-10H2,1-5H3,(H,21,27)(H,22,26)/t13-,14-/m0/s1
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n/an/a 1.22E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247514
PNG
((2S,4S)-Methyl 4-(4-chlorobenzamido)-1-acetylpyrro...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H17ClN2O4/c1-9(19)18-8-12(7-13(18)15(21)22-2)17-14(20)10-3-5-11(16)6-4-10/h3-6,12-13H,7-8H2,1-2H3,(H,17,20)/t12-,13-/m0/s1
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n/an/a 1.22E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247513
PNG
((2S,4S)-Methyl 1-acetyl-4-(benzamido)pyrrolidine-2...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C15H18N2O4/c1-10(18)17-9-12(8-13(17)15(20)21-2)16-14(19)11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3,(H,16,19)/t12-,13-/m0/s1
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n/an/a 1.23E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247218
PNG
((2S,4S)-Methyl 1-acetyl-4-(cinnamamido)pyrrolidine...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C17H20N2O4/c1-12(20)19-11-14(10-15(19)17(22)23-2)18-16(21)9-8-13-6-4-3-5-7-13/h3-9,14-15H,10-11H2,1-2H3,(H,18,21)/b9-8+/t14-,15-/m0/s1
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n/an/a 1.35E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247266
PNG
((2S,4S)-Methyl 1-((E)-3-(3,4-dimethoxyphenyl)acryl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)\C=C\c1ccc(OC)c(OC)c1)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C23H25N3O6/c1-30-19-8-6-15(11-20(19)31-2)7-9-21(27)26-14-17(12-18(26)23(29)32-3)25-22(28)16-5-4-10-24-13-16/h4-11,13,17-18H,12,14H2,1-3H3,(H,25,28)/b9-7+/t17-,18-/m0/s1
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n/an/a 1.37E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247539
PNG
(CHEMBL472915 | N-((3S,5S)-1-((E)-3-(3,4-dimethoxyp...)
Show SMILES COc1ccc(\C=C\C(=O)N2C[C@H](C[C@H]2C(=O)NO)NC(=O)c2cccnc2)cc1OC |r|
Show InChI InChI=1S/C22H24N4O6/c1-31-18-7-5-14(10-19(18)32-2)6-8-20(27)26-13-16(11-17(26)22(29)25-30)24-21(28)15-4-3-9-23-12-15/h3-10,12,16-17,30H,11,13H2,1-2H3,(H,24,28)(H,25,29)/b8-6+/t16-,17-/m0/s1
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n/an/a 1.42E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247515
PNG
((2S,4S)-Methyl 4-(4-bromobenzamido)-1-acetylpyrrol...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C15H17BrN2O4/c1-9(19)18-8-12(7-13(18)15(21)22-2)17-14(20)10-3-5-11(16)6-4-10/h3-6,12-13H,7-8H2,1-2H3,(H,17,20)/t12-,13-/m0/s1
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n/an/a 1.49E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247219
PNG
((2S,4S)-Methyl 4-((E)-3-(3,4-dimethoxyphenyl)acryl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(C)=O)NC(=O)\C=C\c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C19H24N2O6/c1-12(22)21-11-14(10-15(21)19(24)27-4)20-18(23)8-6-13-5-7-16(25-2)17(9-13)26-3/h5-9,14-15H,10-11H2,1-4H3,(H,20,23)/b8-6+/t14-,15-/m0/s1
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n/an/a 1.62E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247267
PNG
((2S,4S)-Methyl 1-(3-(3,4-dimethoxyphenyl)propanoyl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)CCc1ccc(OC)c(OC)c1)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C23H27N3O6/c1-30-19-8-6-15(11-20(19)31-2)7-9-21(27)26-14-17(12-18(26)23(29)32-3)25-22(28)16-5-4-10-24-13-16/h4-6,8,10-11,13,17-18H,7,9,12,14H2,1-3H3,(H,25,28)/t17-,18-/m0/s1
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n/an/a 1.96E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50247268
PNG
((2S,4S)-Methyl 1-(3-(3,4-dimethoxyphenyl)propanoyl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)CCc1ccc(OC)c(OC)c1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C26H30N2O6/c1-32-22-12-9-19(15-23(22)33-2)11-14-25(30)28-17-20(16-21(28)26(31)34-3)27-24(29)13-10-18-7-5-4-6-8-18/h4-10,12-13,15,20-21H,11,14,16-17H2,1-3H3,(H,27,29)/b13-10+/t20-,21-/m0/s1
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n/an/a 2.33E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay


Eur J Med Chem 43: 2130-9 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.020
BindingDB Entry DOI: 10.7270/Q22J6BNP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%