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PubMed code 27039251

Compile data set for download or QSAR
Found 66 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))		BDBM50155527
PNG
(CHEMBL3775422)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1[N+]([O-])=O)SCCS2 |r|
Show InChI InChI=1S/C21H22N4O5S3/c1-15-6-8-17(9-7-15)33(29,30)24-14-21(31-10-11-32-21)12-19(24)20(26)23-22-13-16-4-2-3-5-18(16)25(27)28/h2-9,13,19H,10-12,14H2,1H3,(H,23,26)/b22-13+/t19-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155510
PNG
(CHEMBL3775945)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1Br)SCCS2 |r|
Show InChI InChI=1S/C21H22BrN3O3S3/c1-15-6-8-17(9-7-15)31(27,28)25-14-21(29-10-11-30-21)12-19(25)20(26)24-23-13-16-4-2-3-5-18(16)22/h2-9,13,19H,10-12,14H2,1H3,(H,24,26)/b23-13+/t19-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155511
PNG
(CHEMBL3774916)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1Cl)SCCS2 |r|
Show InChI InChI=1S/C21H22ClN3O3S3/c1-15-6-8-17(9-7-15)31(27,28)25-14-21(29-10-11-30-21)12-19(25)20(26)24-23-13-16-4-2-3-5-18(16)22/h2-9,13,19H,10-12,14H2,1H3,(H,24,26)/b23-13+/t19-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155526
PNG
(CHEMBL3775206)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O)SCCS2 |r|
Show InChI InChI=1S/C21H22N4O5S3/c1-15-5-7-18(8-6-15)33(29,30)24-14-21(31-9-10-32-21)12-19(24)20(26)23-22-13-16-3-2-4-17(11-16)25(27)28/h2-8,11,13,19H,9-10,12,14H2,1H3,(H,23,26)/b22-13+/t19-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155512
PNG
(CHEMBL3775428)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1F)SCCS2 |r|
Show InChI InChI=1S/C21H22FN3O3S3/c1-15-6-8-17(9-7-15)31(27,28)25-14-21(29-10-11-30-21)12-19(25)20(26)24-23-13-16-4-2-3-5-18(16)22/h2-9,13,19H,10-12,14H2,1H3,(H,24,26)/b23-13+/t19-/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155513
PNG
(CHEMBL3774479)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)[C@@H]2CC3(CN2S(=O)(=O)c2ccc(C)cc2)SCCS3)cc1 |r|
Show InChI InChI=1S/C23H28N4O3S3/c1-17-4-10-20(11-5-17)33(29,30)27-16-23(31-12-13-32-23)14-21(27)22(28)25-24-15-18-6-8-19(9-7-18)26(2)3/h4-11,15,21H,12-14,16H2,1-3H3,(H,25,28)/b24-15+/t21-/m0/s1
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n/an/a 5.52E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
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 5.64E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155292
PNG
(CHEMBL3774841)
Show SMILES COc1cccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)c1O
Show InChI InChI=1S/C19H18N4O4/c1-12-19(26)23(15-8-4-3-7-14(15)21-12)11-17(24)22-20-10-13-6-5-9-16(27-2)18(13)25/h3-10,25H,11H2,1-2H3,(H,22,24)/b20-10+
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n/an/a 7.17E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155280
PNG
(CHEMBL3775698)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1ccccc1
Show InChI InChI=1S/C19H18N4O2/c1-13(15-8-4-3-5-9-15)21-22-18(24)12-23-17-11-7-6-10-16(17)20-14(2)19(23)25/h3-11H,12H2,1-2H3,(H,22,24)/b21-13+
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n/an/a 9.39E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155281
PNG
(CHEMBL3774477)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN4O2/c1-12(14-7-9-15(20)10-8-14)22-23-18(25)11-24-17-6-4-3-5-16(17)21-13(2)19(24)26/h3-10H,11H2,1-2H3,(H,23,25)/b22-12+
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n/an/a 1.32E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155285
PNG
(CHEMBL3775460)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccco2)c1=O
Show InChI InChI=1S/C16H14N4O3/c1-11-16(22)20(14-7-3-2-6-13(14)18-11)10-15(21)19-17-9-12-5-4-8-23-12/h2-9H,10H2,1H3,(H,19,21)/b17-9+
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n/an/a 1.72E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155514
PNG
(CHEMBL3774714)
Show SMILES COc1ccccc1\C=N\NC(=O)[C@@H]1CC2(CN1S(=O)(=O)c1ccc(C)cc1)SCCS2 |r|
Show InChI InChI=1S/C22H25N3O4S3/c1-16-7-9-18(10-8-16)32(27,28)25-15-22(30-11-12-31-22)13-19(25)21(26)24-23-14-17-5-3-4-6-20(17)29-2/h3-10,14,19H,11-13,15H2,1-2H3,(H,24,26)/b23-14+/t19-/m0/s1
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n/an/a 2.85E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155522
PNG
(CHEMBL3775221)
Show SMILES COc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1OC
Show InChI InChI=1S/C20H20N4O4/c1-13-20(26)24(16-7-5-4-6-15(16)22-13)12-19(25)23-21-11-14-8-9-17(27-2)18(10-14)28-3/h4-11H,12H2,1-3H3,(H,23,25)/b21-11+
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n/an/a 2.88E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155278
PNG
(CHEMBL3775011)
Show SMILES Cc1nc2ccccc2n(CC(=O)NNC(=O)c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C18H15ClN4O3/c1-11-18(26)23(15-5-3-2-4-14(15)20-11)10-16(24)21-22-17(25)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,24)(H,22,25)
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n/an/a 3.48E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155287
PNG
(CHEMBL3775115)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\Cc2ccccc2)c1=O
Show InChI InChI=1S/C19H18N4O2/c1-14-19(25)23(17-10-6-5-9-16(17)21-14)13-18(24)22-20-12-11-15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H,22,24)/b20-12+
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n/an/a 3.60E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155518
PNG
(CHEMBL3774803)
Show SMILES Cc1ccc(\C=N\NC(=O)[C@@H]2CC3(CN2S(=O)(=O)c2ccc(C)cc2)SCCS3)cc1 |r|
Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2
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n/an/a 3.68E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155288
PNG
(CHEMBL3775142)
Show SMILES Cc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1
Show InChI InChI=1S/C19H18N4O2/c1-13-7-9-15(10-8-13)11-20-22-18(24)12-23-17-6-4-3-5-16(17)21-14(2)19(23)25/h3-11H,12H2,1-2H3,(H,22,24)/b20-11+
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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 gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155519
PNG
(CHEMBL3775970)
Show SMILES COc1cc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)cc(OC)c1OC
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2
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n/an/a 5.76E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155279
PNG
(CHEMBL3775574)
Show SMILES Cc1nc2ccccc2n(CC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C18H14Cl2N4O3/c1-10-18(27)24(14-8-3-2-7-13(14)21-10)9-15(25)22-23-17(26)16-11(19)5-4-6-12(16)20/h2-8H,9H2,1H3,(H,22,25)(H,23,26)
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n/an/a 5.82E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155289
PNG
(CHEMBL3775617)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1
Show InChI InChI=1S/C20H21N5O2/c1-14-20(27)25(18-7-5-4-6-17(18)22-14)13-19(26)23-21-12-15-8-10-16(11-9-15)24(2)3/h4-12H,13H2,1-3H3,(H,23,26)/b21-12+
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n/an/a 6.43E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155286
PNG
(CHEMBL3775452)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccccc2)c1=O
Show InChI InChI=1S/C18H16N4O2/c1-13-18(24)22(16-10-6-5-9-15(16)20-13)12-17(23)21-19-11-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,21,23)/b19-11+
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n/an/a 6.70E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155293
PNG
(CHEMBL3774826)
Show SMILES COc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)c(OC)c1
Show InChI InChI=1S/C20H20N4O4/c1-13-20(26)24(17-7-5-4-6-16(17)22-13)12-19(25)23-21-11-14-8-9-15(27-2)10-18(14)28-3/h4-11H,12H2,1-3H3,(H,23,25)/b21-11+
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n/an/a 7.49E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155292
PNG
(CHEMBL3774841)
Show SMILES COc1cccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)c1O
Show InChI InChI=1S/C19H18N4O4/c1-12-19(26)23(15-8-4-3-7-14(15)21-12)11-17(24)22-20-10-13-6-5-9-16(27-2)18(13)25/h3-10,25H,11H2,1-2H3,(H,22,24)/b20-10+
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n/an/a 8.10E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155290
PNG
(CHEMBL3774656)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C18H15ClN4O2/c1-12-18(25)23(16-5-3-2-4-15(16)21-12)11-17(24)22-20-10-13-6-8-14(19)9-7-13/h2-10H,11H2,1H3,(H,22,24)/b20-10+
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n/an/a 8.10E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155282
PNG
(CHEMBL3775356)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N5O4/c1-12(14-7-9-15(10-8-14)24(27)28)21-22-18(25)11-23-17-6-4-3-5-16(17)20-13(2)19(23)26/h3-10H,11H2,1-2H3,(H,22,25)/b21-12+
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n/an/a 9.08E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155274
PNG
(CHEMBL3775799)
Show SMILES Cc1nc2ccccc2n(CC(=O)NN)c1=O
Show InChI InChI=1S/C11H12N4O2/c1-7-11(17)15(6-10(16)14-12)9-5-3-2-4-8(9)13-7/h2-5H,6,12H2,1H3,(H,14,16)
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n/an/a 9.80E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155280
PNG
(CHEMBL3775698)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1ccccc1
Show InChI InChI=1S/C19H18N4O2/c1-13(15-8-4-3-5-9-15)21-22-18(24)12-23-17-11-7-6-10-16(17)20-14(2)19(23)25/h3-11H,12H2,1-2H3,(H,22,24)/b21-13+
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n/an/a 9.99E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155285
PNG
(CHEMBL3775460)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccco2)c1=O
Show InChI InChI=1S/C16H14N4O3/c1-11-16(22)20(14-7-3-2-6-13(14)18-11)10-15(21)19-17-9-12-5-4-8-23-12/h2-9H,10H2,1H3,(H,19,21)/b17-9+
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n/an/a 1.03E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155283
PNG
(CHEMBL3775412)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C19H17ClN4O2/c1-12(14-7-3-4-8-15(14)20)22-23-18(25)11-24-17-10-6-5-9-16(17)21-13(2)19(24)26/h3-10H,11H2,1-2H3,(H,23,25)/b22-12+
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n/an/a 1.12E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		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 1.17E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155281
PNG
(CHEMBL3774477)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN4O2/c1-12(14-7-9-15(20)10-8-14)22-23-18(25)11-24-17-6-4-3-5-16(17)21-13(2)19(24)26/h3-10H,11H2,1-2H3,(H,23,25)/b22-12+
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n/an/a 1.25E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155277
PNG
(CHEMBL3775319)
Show SMILES Cc1nc2ccccc2n(CC(=O)NNC(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C19H18N4O3/c1-13-19(26)23(16-10-6-5-9-15(16)20-13)12-18(25)22-21-17(24)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,24)(H,22,25)
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n/an/a 1.59E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155276
PNG
(CHEMBL3775713)
Show SMILES Cc1nc2ccccc2n(CC(=O)NNC(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C18H16N4O3/c1-12-18(25)22(15-10-6-5-9-14(15)19-12)11-16(23)20-21-17(24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
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n/an/a 1.87E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155525
PNG
(CHEMBL3775720)
Show SMILES COc1cc(\C=N\NC(=O)[C@@H]2CC3(CN2S(=O)(=O)c2ccc(C)cc2)SCCS3)cc(OC)c1OC |r|
Show InChI InChI=1S/C24H29N3O6S3/c1-16-5-7-18(8-6-16)36(29,30)27-15-24(34-9-10-35-24)13-19(27)23(28)26-25-14-17-11-20(31-2)22(33-4)21(12-17)32-3/h5-8,11-12,14,19H,9-10,13,15H2,1-4H3,(H,26,28)/b25-14+/t19-/m0/s1
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n/an/a 2.10E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155287
PNG
(CHEMBL3775115)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\Cc2ccccc2)c1=O
Show InChI InChI=1S/C19H18N4O2/c1-14-19(25)23(17-10-6-5-9-16(17)21-14)13-18(24)22-20-12-11-15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H,22,24)/b20-12+
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n/an/a 2.23E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155519
PNG
(CHEMBL3775970)
Show SMILES COc1cc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)cc(OC)c1OC
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2
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n/an/a 2.23E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155293
PNG
(CHEMBL3774826)
Show SMILES COc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)c(OC)c1
Show InChI InChI=1S/C20H20N4O4/c1-13-20(26)24(17-7-5-4-6-16(17)22-13)12-19(25)23-21-11-14-8-9-15(27-2)10-18(14)28-3/h4-11H,12H2,1-3H3,(H,23,25)/b21-11+
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n/an/a 2.43E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155291
PNG
(CHEMBL3775708)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C18H15N5O4/c1-12-18(25)22(16-5-3-2-4-15(16)20-12)11-17(24)21-19-10-13-6-8-14(9-7-13)23(26)27/h2-10H,11H2,1H3,(H,21,24)/b19-10+
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n/an/a 2.46E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155274
PNG
(CHEMBL3775799)
Show SMILES Cc1nc2ccccc2n(CC(=O)NN)c1=O
Show InChI InChI=1S/C11H12N4O2/c1-7-11(17)15(6-10(16)14-12)9-5-3-2-4-8(9)13-7/h2-5H,6,12H2,1H3,(H,14,16)
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n/an/a 2.57E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155278
PNG
(CHEMBL3775011)
Show SMILES Cc1nc2ccccc2n(CC(=O)NNC(=O)c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C18H15ClN4O3/c1-11-18(26)23(15-5-3-2-4-14(15)20-11)10-16(24)21-22-17(25)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,24)(H,22,25)
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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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155279
PNG
(CHEMBL3775574)
Show SMILES Cc1nc2ccccc2n(CC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C18H14Cl2N4O3/c1-10-18(27)24(14-8-3-2-7-13(14)21-10)9-15(25)22-23-17(26)16-11(19)5-4-6-12(16)20/h2-8H,9H2,1H3,(H,22,25)(H,23,26)
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n/an/a 2.99E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155288
PNG
(CHEMBL3775142)
Show SMILES Cc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1
Show InChI InChI=1S/C19H18N4O2/c1-13-7-9-15(10-8-13)11-20-22-18(24)12-23-17-6-4-3-5-16(17)21-14(2)19(23)25/h3-11H,12H2,1-2H3,(H,22,24)/b20-11+
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n/an/a 3.07E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155275
PNG
(CHEMBL3774559)
Show SMILES CC(=O)NNC(=O)Cn1c2ccccc2nc(C)c1=O
Show InChI InChI=1S/C13H14N4O3/c1-8-13(20)17(7-12(19)16-15-9(2)18)11-6-4-3-5-10(11)14-8/h3-6H,7H2,1-2H3,(H,15,18)(H,16,19)
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n/an/a 3.28E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155289
PNG
(CHEMBL3775617)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1
Show InChI InChI=1S/C20H21N5O2/c1-14-20(27)25(18-7-5-4-6-17(18)22-14)13-19(26)23-21-12-15-8-10-16(11-9-15)24(2)3/h4-12H,13H2,1-3H3,(H,23,26)/b21-12+
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n/an/a 3.31E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155277
PNG
(CHEMBL3775319)
Show SMILES Cc1nc2ccccc2n(CC(=O)NNC(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C19H18N4O3/c1-13-19(26)23(16-10-6-5-9-15(16)20-13)12-18(25)22-21-17(24)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,24)(H,22,25)
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n/an/a 3.33E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155286
PNG
(CHEMBL3775452)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccccc2)c1=O
Show InChI InChI=1S/C18H16N4O2/c1-13-18(24)22(16-10-6-5-9-15(16)20-13)12-17(23)21-19-11-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,21,23)/b19-11+
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n/an/a 3.41E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155276
PNG
(CHEMBL3775713)
Show SMILES Cc1nc2ccccc2n(CC(=O)NNC(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C18H16N4O3/c1-12-18(25)22(15-10-6-5-9-14(15)19-12)11-16(23)20-21-17(24)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
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n/an/a 3.87E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155282
PNG
(CHEMBL3775356)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N5O4/c1-12(14-7-9-15(10-8-14)24(27)28)21-22-18(25)11-23-17-6-4-3-5-16(17)20-13(2)19(23)26/h3-10H,11H2,1-2H3,(H,22,25)/b21-12+
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n/an/a 3.89E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155524
PNG
(CHEMBL3092092)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)NN)SCCS2 |r|
Show InChI InChI=1S/C14H19N3O3S3/c1-10-2-4-11(5-3-10)23(19,20)17-9-14(21-6-7-22-14)8-12(17)13(18)16-15/h2-5,12H,6-9,15H2,1H3,(H,16,18)/t12-/m0/s1
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n/an/a 4.30E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155283
PNG
(CHEMBL3775412)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C19H17ClN4O2/c1-12(14-7-3-4-8-15(14)20)22-23-18(25)11-24-17-10-6-5-9-16(17)21-13(2)19(24)26/h3-10H,11H2,1-2H3,(H,23,25)/b22-12+
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n/an/a 4.39E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155290
PNG
(CHEMBL3774656)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C18H15ClN4O2/c1-12-18(25)23(16-5-3-2-4-15(16)21-12)11-17(24)22-20-10-13-6-8-14(19)9-7-13/h2-10H,11H2,1H3,(H,22,24)/b20-10+
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n/an/a 4.49E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155522
PNG
(CHEMBL3775221)
Show SMILES COc1ccc(\C=N\NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1OC
Show InChI InChI=1S/C20H20N4O4/c1-13-20(26)24(16-7-5-4-6-15(16)22-13)12-19(25)23-21-11-14-8-9-17(27-2)18(10-14)28-3/h4-11H,12H2,1-3H3,(H,23,25)/b21-11+
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n/an/a 4.81E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155275
PNG
(CHEMBL3774559)
Show SMILES CC(=O)NNC(=O)Cn1c2ccccc2nc(C)c1=O
Show InChI InChI=1S/C13H14N4O3/c1-8-13(20)17(7-12(19)16-15-9(2)18)11-6-4-3-5-10(11)14-8/h3-6H,7H2,1-2H3,(H,15,18)(H,16,19)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50155284
PNG
(CHEMBL3775542)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN4O2/c1-12(14-6-5-7-15(20)10-14)22-23-18(25)11-24-17-9-4-3-8-16(17)21-13(2)19(24)26/h3-10H,11H2,1-2H3,(H,23,25)/b22-12+
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n/an/a 5.67E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155291
PNG
(CHEMBL3775708)
Show SMILES Cc1nc2ccccc2n(CC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C18H15N5O4/c1-12-18(25)22(16-5-3-2-4-15(16)20-12)11-17(24)21-19-10-13-6-8-14(9-7-13)23(26)27/h2-10H,11H2,1H3,(H,21,24)/b19-10+
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n/an/a 6.44E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155525
PNG
(CHEMBL3775720)
Show SMILES COc1cc(\C=N\NC(=O)[C@@H]2CC3(CN2S(=O)(=O)c2ccc(C)cc2)SCCS3)cc(OC)c1OC |r|
Show InChI InChI=1S/C24H29N3O6S3/c1-16-5-7-18(8-6-16)36(29,30)27-15-24(34-9-10-35-24)13-19(27)23(28)26-25-14-17-11-20(31-2)22(33-4)21(12-17)32-3/h5-8,11-12,14,19H,9-10,13,15H2,1-4H3,(H,26,28)/b25-14+/t19-/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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155513
PNG
(CHEMBL3774479)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)[C@@H]2CC3(CN2S(=O)(=O)c2ccc(C)cc2)SCCS3)cc1 |r|
Show InChI InChI=1S/C23H28N4O3S3/c1-17-4-10-20(11-5-17)33(29,30)27-16-23(31-12-13-32-23)14-21(27)22(28)25-24-15-18-6-8-19(9-7-18)26(2)3/h4-11,15,21H,12-14,16H2,1-3H3,(H,25,28)/b24-15+/t21-/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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155526
PNG
(CHEMBL3775206)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O)SCCS2 |r|
Show InChI InChI=1S/C21H22N4O5S3/c1-15-5-7-18(8-6-15)33(29,30)24-14-21(31-9-10-32-21)12-19(24)20(26)23-22-13-16-3-2-4-17(11-16)25(27)28/h2-8,11,13,19H,9-10,12,14H2,1H3,(H,23,26)/b22-13+/t19-/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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155510
PNG
(CHEMBL3775945)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1Br)SCCS2 |r|
Show InChI InChI=1S/C21H22BrN3O3S3/c1-15-6-8-17(9-7-15)31(27,28)25-14-21(29-10-11-30-21)12-19(25)20(26)24-23-13-16-4-2-3-5-18(16)22/h2-9,13,19H,10-12,14H2,1H3,(H,24,26)/b23-13+/t19-/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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155512
PNG
(CHEMBL3775428)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1F)SCCS2 |r|
Show InChI InChI=1S/C21H22FN3O3S3/c1-15-6-8-17(9-7-15)31(27,28)25-14-21(29-10-11-30-21)12-19(25)20(26)24-23-13-16-4-2-3-5-18(16)22/h2-9,13,19H,10-12,14H2,1H3,(H,24,26)/b23-13+/t19-/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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155514
PNG
(CHEMBL3774714)
Show SMILES COc1ccccc1\C=N\NC(=O)[C@@H]1CC2(CN1S(=O)(=O)c1ccc(C)cc1)SCCS2 |r|
Show InChI InChI=1S/C22H25N3O4S3/c1-16-7-9-18(10-8-16)32(27,28)25-15-22(30-11-12-31-22)13-19(25)21(26)24-23-14-17-5-3-4-6-20(17)29-2/h3-10,14,19H,11-13,15H2,1-2H3,(H,24,26)/b23-14+/t19-/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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155511
PNG
(CHEMBL3774916)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1Cl)SCCS2 |r|
Show InChI InChI=1S/C21H22ClN3O3S3/c1-15-6-8-17(9-7-15)31(27,28)25-14-21(29-10-11-30-21)12-19(25)20(26)24-23-13-16-4-2-3-5-18(16)22/h2-9,13,19H,10-12,14H2,1H3,(H,24,26)/b23-13+/t19-/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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155524
PNG
(CHEMBL3092092)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)NN)SCCS2 |r|
Show InChI InChI=1S/C14H19N3O3S3/c1-10-2-4-11(5-3-10)23(19,20)17-9-14(21-6-7-22-14)8-12(17)13(18)16-15/h2-5,12H,6-9,15H2,1H3,(H,16,18)/t12-/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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155284
PNG
(CHEMBL3775542)
Show SMILES C\C(=N/NC(=O)Cn1c2ccccc2nc(C)c1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN4O2/c1-12(14-6-5-7-15(20)10-14)22-23-18(25)11-24-17-9-4-3-8-16(17)21-13(2)19(24)26/h3-10H,11H2,1-2H3,(H,23,25)/b22-12+
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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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155527
PNG
(CHEMBL3775422)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC2(C[C@H]1C(=O)N\N=C\c1ccccc1[N+]([O-])=O)SCCS2 |r|
Show InChI InChI=1S/C21H22N4O5S3/c1-15-6-8-17(9-7-15)33(29,30)24-14-21(31-10-11-32-21)12-19(24)20(26)23-22-13-16-4-2-3-5-18(16)25(27)28/h2-9,13,19H,10-12,14H2,1H3,(H,23,26)/b22-13+/t19-/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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50155518
PNG
(CHEMBL3774803)
Show SMILES Cc1ccc(\C=N\NC(=O)[C@@H]2CC3(CN2S(=O)(=O)c2ccc(C)cc2)SCCS3)cc1 |r|
Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2
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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 porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer

Bioorg Med Chem 24: 2125-36 (2016)


Article DOI: 10.1016/j.bmc.2016.03.043
BindingDB Entry DOI: 10.7270/Q28S4RSZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%