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PubMed code 20637634

Compile data set for download or QSAR
Found 48 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
Aminopeptidase N


(Sus scrofa (Pig))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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PubMed
n/an/a 4.18E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323937
PNG
((2S)-2-Amino-N-(1-(2-(2,4-dimethylphenylamino)-2-o...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)CC[C@H](NC(=O)[C@@H](N)Cc3ccccc3)C2=O)c(C)c1 |r|
Show InChI InChI=1S/C24H28N4O4/c1-15-8-9-19(16(2)12-15)26-21(29)14-28-22(30)11-10-20(24(28)32)27-23(31)18(25)13-17-6-4-3-5-7-17/h3-9,12,18,20H,10-11,13-14,25H2,1-2H3,(H,26,29)(H,27,31)/t18-,20-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323948
PNG
((S)-Benzyl-2-(2-((S)-3-((S)-2-amino-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C32H34N4O6/c33-25(18-22-10-4-1-5-11-22)30(39)35-26-16-17-29(38)36(31(26)40)20-28(37)34-27(19-23-12-6-2-7-13-23)32(41)42-21-24-14-8-3-9-15-24/h1-15,25-27H,16-21,33H2,(H,34,37)(H,35,39)/t25-,26-,27-/m0/s1
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n/an/a 6.48E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323938
PNG
((2S)-2-Amino-N-(1-(2-(3-chlorophenylamino)-2-oxoet...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C22H23ClN4O4/c23-15-7-4-8-16(12-15)25-19(28)13-27-20(29)10-9-18(22(27)31)26-21(30)17(24)11-14-5-2-1-3-6-14/h1-8,12,17-18H,9-11,13,24H2,(H,25,28)(H,26,30)/t17-,18-/m0/s1
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n/an/a 6.92E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323937
PNG
((2S)-2-Amino-N-(1-(2-(2,4-dimethylphenylamino)-2-o...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)CC[C@H](NC(=O)[C@@H](N)Cc3ccccc3)C2=O)c(C)c1 |r|
Show InChI InChI=1S/C24H28N4O4/c1-15-8-9-19(16(2)12-15)26-21(29)14-28-22(30)11-10-20(24(28)32)27-23(31)18(25)13-17-6-4-3-5-7-17/h3-9,12,18,20H,10-11,13-14,25H2,1-2H3,(H,26,29)(H,27,31)/t18-,20-/m0/s1
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n/an/a 8.27E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323953
PNG
((S)-2-(2-((S)-3-((S)-2-Amino-3-phenylpropanamido)-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(O)=O |r|
Show InChI InChI=1S/C22H30N4O6/c1-13(2)10-17(22(31)32)24-18(27)12-26-19(28)9-8-16(21(26)30)25-20(29)15(23)11-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,23H2,1-2H3,(H,24,27)(H,25,29)(H,31,32)/t15-,16-,17-/m0/s1
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n/an/a 8.42E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323948
PNG
((S)-Benzyl-2-(2-((S)-3-((S)-2-amino-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C32H34N4O6/c33-25(18-22-10-4-1-5-11-22)30(39)35-26-16-17-29(38)36(31(26)40)20-28(37)34-27(19-23-12-6-2-7-13-23)32(41)42-21-24-14-8-3-9-15-24/h1-15,25-27H,16-21,33H2,(H,34,37)(H,35,39)/t25-,26-,27-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323956
PNG
((S)-2-(2-((S)-3-((S)-2-Amino-3-phenylpropanamido)-...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C1=O |r|
Show InChI InChI=1S/C21H26N4O8/c22-13(10-12-4-2-1-3-5-12)19(30)24-14-6-8-17(27)25(20(14)31)11-16(26)23-15(21(32)33)7-9-18(28)29/h1-5,13-15H,6-11,22H2,(H,23,26)(H,24,30)(H,28,29)(H,32,33)/t13-,14+,15+/m1/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323954
PNG
(3-(2-((S)-3-((S)-2-Amino-3-phenylpropanamido)-2,6-...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCCC(O)=O)C1=O |r|
Show InChI InChI=1S/C19H24N4O6/c20-13(10-12-4-2-1-3-5-12)18(28)22-14-6-7-16(25)23(19(14)29)11-15(24)21-9-8-17(26)27/h1-5,13-14H,6-11,20H2,(H,21,24)(H,22,28)(H,26,27)/t13-,14+/m1/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323952
PNG
((S)-2-(2-(3-((S)-2-Amino-3-phenylpropanamido)-2,6-...)
Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(O)=O |r|
Show InChI InChI=1S/C21H28N4O6/c1-12(2)18(21(30)31)24-16(26)11-25-17(27)9-8-15(20(25)29)23-19(28)14(22)10-13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11,22H2,1-2H3,(H,23,28)(H,24,26)(H,30,31)/t14-,15-,18-/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323943
PNG
((S)-Benzyl-2-(2-(3-((S)-2-amino-3-phenylpropanamid...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCC(=O)OCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C25H28N4O6/c26-19(13-17-7-3-1-4-8-17)24(33)28-20-11-12-22(31)29(25(20)34)15-21(30)27-14-23(32)35-16-18-9-5-2-6-10-18/h1-10,19-20H,11-16,26H2,(H,27,30)(H,28,33)/t19-,20-/m0/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323945
PNG
((S)-Benzyl-2-(2-(3-((S)-2-amino-3-phenylpropanamid...)
Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C28H34N4O6/c1-18(2)25(28(37)38-17-20-11-7-4-8-12-20)31-23(33)16-32-24(34)14-13-22(27(32)36)30-26(35)21(29)15-19-9-5-3-6-10-19/h3-12,18,21-22,25H,13-17,29H2,1-2H3,(H,30,35)(H,31,33)/t21-,22-,25-/m0/s1
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n/an/a 1.85E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323954
PNG
(3-(2-((S)-3-((S)-2-Amino-3-phenylpropanamido)-2,6-...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCCC(O)=O)C1=O |r|
Show InChI InChI=1S/C19H24N4O6/c20-13(10-12-4-2-1-3-5-12)18(28)22-14-6-7-16(25)23(19(14)29)11-15(24)21-9-8-17(26)27/h1-5,13-14H,6-11,20H2,(H,21,24)(H,22,28)(H,26,27)/t13-,14+/m1/s1
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n/an/a 2.27E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323945
PNG
((S)-Benzyl-2-(2-(3-((S)-2-amino-3-phenylpropanamid...)
Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C28H34N4O6/c1-18(2)25(28(37)38-17-20-11-7-4-8-12-20)31-23(33)16-32-24(34)14-13-22(27(32)36)30-26(35)21(29)15-19-9-5-3-6-10-19/h3-12,18,21-22,25H,13-17,29H2,1-2H3,(H,30,35)(H,31,33)/t21-,22-,25-/m0/s1
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n/an/a 3.01E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323946
PNG
((S)-Benzyl-2-(2-((S)-3-((S)-2-amino-3-phenylpropan...)
Show SMILES CC(C)C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H36N4O6/c1-19(2)15-24(29(38)39-18-21-11-7-4-8-12-21)31-25(34)17-33-26(35)14-13-23(28(33)37)32-27(36)22(30)16-20-9-5-3-6-10-20/h3-12,19,22-24H,13-18,30H2,1-2H3,(H,31,34)(H,32,36)/t22-,23-,24-/m0/s1
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n/an/a 3.02E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323950
PNG
(2-(2-(3-((S)-2-Amino-3-phenylpropanamido)-2,6-diox...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCC(O)=O)C1=O |r|
Show InChI InChI=1S/C18H22N4O6/c19-12(8-11-4-2-1-3-5-11)17(27)21-13-6-7-15(24)22(18(13)28)10-14(23)20-9-16(25)26/h1-5,12-13H,6-10,19H2,(H,20,23)(H,21,27)(H,25,26)/t12-,13-/m0/s1
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n/an/a 3.87E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323942
PNG
((2S)-2-Amino-N-(1-(2-(3,4-difluorophenylamino)-2-o...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O |r|
Show InChI InChI=1S/C22H22F2N4O4/c23-15-7-6-14(11-16(15)24)26-19(29)12-28-20(30)9-8-18(22(28)32)27-21(31)17(25)10-13-4-2-1-3-5-13/h1-7,11,17-18H,8-10,12,25H2,(H,26,29)(H,27,31)/t17-,18-/m0/s1
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n/an/a 4.69E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323947
PNG
(Benzyl-3-(2-((S)-3-((S)-2-amino-3-phenylpropanamid...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCCC(=O)OCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C26H30N4O6/c27-20(15-18-7-3-1-4-8-18)25(34)29-21-11-12-23(32)30(26(21)35)16-22(31)28-14-13-24(33)36-17-19-9-5-2-6-10-19/h1-10,20-21H,11-17,27H2,(H,28,31)(H,29,34)/t20-,21+/m1/s1
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n/an/a 4.97E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323942
PNG
((2S)-2-Amino-N-(1-(2-(3,4-difluorophenylamino)-2-o...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O |r|
Show InChI InChI=1S/C22H22F2N4O4/c23-15-7-6-14(11-16(15)24)26-19(29)12-28-20(30)9-8-18(22(28)32)27-21(31)17(25)10-13-4-2-1-3-5-13/h1-7,11,17-18H,8-10,12,25H2,(H,26,29)(H,27,31)/t17-,18-/m0/s1
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n/an/a 5.34E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323938
PNG
((2S)-2-Amino-N-(1-(2-(3-chlorophenylamino)-2-oxoet...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O |r|
Show InChI InChI=1S/C22H23ClN4O4/c23-15-7-4-8-16(12-15)25-19(28)13-27-20(29)10-9-18(22(27)31)26-21(30)17(24)11-14-5-2-1-3-6-14/h1-8,12,17-18H,9-11,13,24H2,(H,25,28)(H,26,30)/t17-,18-/m0/s1
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n/an/a 6.04E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323939
PNG
((2S)-2-Amino-N-(1-(2-(2-fluorophenylamino)-2-oxoet...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccccc2F)C1=O |r|
Show InChI InChI=1S/C22H23FN4O4/c23-15-8-4-5-9-17(15)25-19(28)13-27-20(29)11-10-18(22(27)31)26-21(30)16(24)12-14-6-2-1-3-7-14/h1-9,16,18H,10-13,24H2,(H,25,28)(H,26,30)/t16-,18-/m0/s1
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n/an/a 6.27E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323955
PNG
((S)-2-(2-((S)-3-((S)-2-Amino-3-phenylpropanamido)-...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |r|
Show InChI InChI=1S/C25H28N4O6/c26-18(13-16-7-3-1-4-8-16)23(32)28-19-11-12-22(31)29(24(19)33)15-21(30)27-20(25(34)35)14-17-9-5-2-6-10-17/h1-10,18-20H,11-15,26H2,(H,27,30)(H,28,32)(H,34,35)/t18-,19-,20-/m0/s1
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n/an/a 6.64E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323940
PNG
((2S)-2-Amino-N-(1-(2-(4-bromophenylamino)-2-oxoeth...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O |r|
Show InChI InChI=1S/C22H23BrN4O4/c23-15-6-8-16(9-7-15)25-19(28)13-27-20(29)11-10-18(22(27)31)26-21(30)17(24)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13,24H2,(H,25,28)(H,26,30)/t17-,18-/m0/s1
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n/an/a 7.16E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323940
PNG
((2S)-2-Amino-N-(1-(2-(4-bromophenylamino)-2-oxoeth...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O |r|
Show InChI InChI=1S/C22H23BrN4O4/c23-15-6-8-16(9-7-15)25-19(28)13-27-20(29)11-10-18(22(27)31)26-21(30)17(24)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13,24H2,(H,25,28)(H,26,30)/t17-,18-/m0/s1
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n/an/a 7.40E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323949
PNG
((S)-Dibenzyl-2-(2-((S)-3-((S)-2-amino-3-phenylprop...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C35H38N4O8/c36-27(20-24-10-4-1-5-11-24)33(43)38-28-16-18-31(41)39(34(28)44)21-30(40)37-29(35(45)47-23-26-14-8-3-9-15-26)17-19-32(42)46-22-25-12-6-2-7-13-25/h1-15,27-29H,16-23,36H2,(H,37,40)(H,38,43)/t27-,28-,29-/m0/s1
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n/an/a 9.14E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323944
PNG
((S)-Benzyl-2-(2-(3-((S)-2-amino-3-phenylpropanamid...)
Show SMILES C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H30N4O6/c1-17(26(35)36-16-19-10-6-3-7-11-19)28-22(31)15-30-23(32)13-12-21(25(30)34)29-24(33)20(27)14-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16,27H2,1H3,(H,28,31)(H,29,33)/t17-,20-,21-/m0/s1
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n/an/a 9.16E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323950
PNG
(2-(2-(3-((S)-2-Amino-3-phenylpropanamido)-2,6-diox...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCC(O)=O)C1=O |r|
Show InChI InChI=1S/C18H22N4O6/c19-12(8-11-4-2-1-3-5-11)17(27)21-13-6-7-15(24)22(18(13)28)10-14(23)20-9-16(25)26/h1-5,12-13H,6-10,19H2,(H,20,23)(H,21,27)(H,25,26)/t12-,13-/m0/s1
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n/an/a 1.07E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323951
PNG
((S)-2-(2-(3-((S)-2-Amino-3-phenylpropanamido)-2,6-...)
Show SMILES C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(O)=O |r|
Show InChI InChI=1S/C19H24N4O6/c1-11(19(28)29)21-15(24)10-23-16(25)8-7-14(18(23)27)22-17(26)13(20)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,20H2,1H3,(H,21,24)(H,22,26)(H,28,29)/t11-,13-,14-/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323946
PNG
((S)-Benzyl-2-(2-((S)-3-((S)-2-amino-3-phenylpropan...)
Show SMILES CC(C)C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H36N4O6/c1-19(2)15-24(29(38)39-18-21-11-7-4-8-12-21)31-25(34)17-33-26(35)14-13-23(28(33)37)32-27(36)22(30)16-20-9-5-3-6-10-20/h3-12,19,22-24H,13-18,30H2,1-2H3,(H,31,34)(H,32,36)/t22-,23-,24-/m0/s1
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n/an/a 1.21E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323935
PNG
((S)-2-Amino-N-((S)-1-(2-(4-fluorophenylamino)-2-ox...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O |r|
Show InChI InChI=1S/C22H23FN4O4/c23-15-6-8-16(9-7-15)25-19(28)13-27-20(29)11-10-18(22(27)31)26-21(30)17(24)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13,24H2,(H,25,28)(H,26,30)/t17-,18-/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 MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323947
PNG
(Benzyl-3-(2-((S)-3-((S)-2-amino-3-phenylpropanamid...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCCC(=O)OCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C26H30N4O6/c27-20(15-18-7-3-1-4-8-18)25(34)29-21-11-12-23(32)30(26(21)35)16-22(31)28-14-13-24(33)36-17-19-9-5-2-6-10-19/h1-10,20-21H,11-17,27H2,(H,28,31)(H,29,34)/t20-,21+/m1/s1
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n/an/a 1.27E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323944
PNG
((S)-Benzyl-2-(2-(3-((S)-2-amino-3-phenylpropanamid...)
Show SMILES C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H30N4O6/c1-17(26(35)36-16-19-10-6-3-7-11-19)28-22(31)15-30-23(32)13-12-21(25(30)34)29-24(33)20(27)14-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16,27H2,1H3,(H,28,31)(H,29,33)/t17-,20-,21-/m0/s1
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n/an/a 1.29E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323941
PNG
((2S)-2-Amino-N-(1-(2-(3-chloro-4-fluorophenylamino...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O |r|
Show InChI InChI=1S/C22H22ClFN4O4/c23-15-11-14(6-7-16(15)24)26-19(29)12-28-20(30)9-8-18(22(28)32)27-21(31)17(25)10-13-4-2-1-3-5-13/h1-7,11,17-18H,8-10,12,25H2,(H,26,29)(H,27,31)/t17-,18-/m0/s1
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n/an/a 1.31E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323957
PNG
((2S)-2-Amino-N-(1-(2-(2-(hydroxyamino)-2-oxoethyla...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCC(=O)NO)C1=O |r|
Show InChI InChI=1S/C18H23N5O6/c19-12(8-11-4-2-1-3-5-11)17(27)21-13-6-7-16(26)23(18(13)28)10-15(25)20-9-14(24)22-29/h1-5,12-13,29H,6-10,19H2,(H,20,25)(H,21,27)(H,22,24)/t12-,13+/m1/s1
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n/an/a 1.41E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323951
PNG
((S)-2-(2-(3-((S)-2-Amino-3-phenylpropanamido)-2,6-...)
Show SMILES C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(O)=O |r|
Show InChI InChI=1S/C19H24N4O6/c1-11(19(28)29)21-15(24)10-23-16(25)8-7-14(18(23)27)22-17(26)13(20)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,20H2,1H3,(H,21,24)(H,22,26)(H,28,29)/t11-,13-,14-/m0/s1
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n/an/a 1.55E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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n/an/a 1.57E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323941
PNG
((2S)-2-Amino-N-(1-(2-(3-chloro-4-fluorophenylamino...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O |r|
Show InChI InChI=1S/C22H22ClFN4O4/c23-15-11-14(6-7-16(15)24)26-19(29)12-28-20(30)9-8-18(22(28)32)27-21(31)17(25)10-13-4-2-1-3-5-13/h1-7,11,17-18H,8-10,12,25H2,(H,26,29)(H,27,31)/t17-,18-/m0/s1
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n/an/a 1.70E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323936
PNG
((2S)-2-Amino-N-(1-(2-(4-methoxyphenylamino)-2-oxoe...)
Show SMILES COc1ccc(NC(=O)CN2C(=O)CC[C@H](NC(=O)[C@@H](N)Cc3ccccc3)C2=O)cc1 |r|
Show InChI InChI=1S/C23H26N4O5/c1-32-17-9-7-16(8-10-17)25-20(28)14-27-21(29)12-11-19(23(27)31)26-22(30)18(24)13-15-5-3-2-4-6-15/h2-10,18-19H,11-14,24H2,1H3,(H,25,28)(H,26,30)/t18-,19-/m0/s1
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n/an/a 1.78E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323939
PNG
((2S)-2-Amino-N-(1-(2-(2-fluorophenylamino)-2-oxoet...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccccc2F)C1=O |r|
Show InChI InChI=1S/C22H23FN4O4/c23-15-8-4-5-9-17(15)25-19(28)13-27-20(29)11-10-18(22(27)31)26-21(30)16(24)12-14-6-2-1-3-7-14/h1-9,16,18H,10-13,24H2,(H,25,28)(H,26,30)/t16-,18-/m0/s1
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n/an/a 2.45E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323935
PNG
((S)-2-Amino-N-((S)-1-(2-(4-fluorophenylamino)-2-ox...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O |r|
Show InChI InChI=1S/C22H23FN4O4/c23-15-6-8-16(9-7-15)25-19(28)13-27-20(29)11-10-18(22(27)31)26-21(30)17(24)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13,24H2,(H,25,28)(H,26,30)/t17-,18-/m0/s1
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n/an/a 2.52E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323949
PNG
((S)-Dibenzyl-2-(2-((S)-3-((S)-2-amino-3-phenylprop...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C35H38N4O8/c36-27(20-24-10-4-1-5-11-24)33(43)38-28-16-18-31(41)39(34(28)44)21-30(40)37-29(35(45)47-23-26-14-8-3-9-15-26)17-19-32(42)46-22-25-12-6-2-7-13-25/h1-15,27-29H,16-23,36H2,(H,37,40)(H,38,43)/t27-,28-,29-/m0/s1
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n/an/a 2.72E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323957
PNG
((2S)-2-Amino-N-(1-(2-(2-(hydroxyamino)-2-oxoethyla...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCC(=O)NO)C1=O |r|
Show InChI InChI=1S/C18H23N5O6/c19-12(8-11-4-2-1-3-5-11)17(27)21-13-6-7-16(26)23(18(13)28)10-15(25)20-9-14(24)22-29/h1-5,12-13,29H,6-10,19H2,(H,20,25)(H,21,27)(H,22,24)/t12-,13+/m1/s1
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n/an/a 3.04E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323955
PNG
((S)-2-(2-((S)-3-((S)-2-Amino-3-phenylpropanamido)-...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |r|
Show InChI InChI=1S/C25H28N4O6/c26-18(13-16-7-3-1-4-8-16)23(32)28-19-11-12-22(31)29(24(19)33)15-21(30)27-20(25(34)35)14-17-9-5-2-6-10-17/h1-10,18-20H,11-15,26H2,(H,27,30)(H,28,32)(H,34,35)/t18-,19-,20-/m0/s1
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n/an/a 3.16E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323943
PNG
((S)-Benzyl-2-(2-(3-((S)-2-amino-3-phenylpropanamid...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCC(=O)OCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C25H28N4O6/c26-19(13-17-7-3-1-4-8-17)24(33)28-20-11-12-22(31)29(25(20)34)15-21(30)27-14-23(32)35-16-18-9-5-2-6-10-18/h1-10,19-20H,11-16,26H2,(H,27,30)(H,28,33)/t19-,20-/m0/s1
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n/an/a 4.54E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323956
PNG
((S)-2-(2-((S)-3-((S)-2-Amino-3-phenylpropanamido)-...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C1=O |r|
Show InChI InChI=1S/C21H26N4O8/c22-13(10-12-4-2-1-3-5-12)19(30)24-14-6-8-17(27)25(20(14)31)11-16(26)23-15(21(32)33)7-9-18(28)29/h1-5,13-15H,6-11,22H2,(H,23,26)(H,24,30)(H,28,29)(H,32,33)/t13-,14+,15+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323936
PNG
((2S)-2-Amino-N-(1-(2-(4-methoxyphenylamino)-2-oxoe...)
Show SMILES COc1ccc(NC(=O)CN2C(=O)CC[C@H](NC(=O)[C@@H](N)Cc3ccccc3)C2=O)cc1 |r|
Show InChI InChI=1S/C23H26N4O5/c1-32-17-9-7-16(8-10-17)25-20(28)14-27-21(29)12-11-19(23(27)31)26-22(30)18(24)13-15-5-3-2-4-6-15/h2-10,18-19H,11-14,24H2,1H3,(H,25,28)(H,26,30)/t18-,19-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323952
PNG
((S)-2-(2-(3-((S)-2-Amino-3-phenylpropanamido)-2,6-...)
Show SMILES CC(C)[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(O)=O |r|
Show InChI InChI=1S/C21H28N4O6/c1-12(2)18(21(30)31)24-16(26)11-25-17(27)9-8-15(20(25)29)23-19(28)14(22)10-13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11,22H2,1-2H3,(H,23,28)(H,24,26)(H,30,31)/t14-,15-,18-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323953
PNG
((S)-2-(2-((S)-3-((S)-2-Amino-3-phenylpropanamido)-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(O)=O |r|
Show InChI InChI=1S/C22H30N4O6/c1-13(2)10-17(22(31)32)24-18(27)12-26-19(28)9-8-16(21(26)30)25-20(29)15(23)11-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,23H2,1-2H3,(H,24,27)(H,25,29)(H,31,32)/t15-,16-,17-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%