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PubMed code 24755524

Compile data set for download or QSAR
Found 60 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))		BDBM50014589
PNG
(CHEMBL3261762)
Show SMILES Cl.CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H28ClN5O6S.ClH/c1-11(2)7-15(21)18(27)22-9-17(26)23-13-8-16(19(28)24-29)25(10-13)32(30,31)14-5-3-12(20)4-6-14;/h3-6,11,13,15-16,29H,7-10,21H2,1-2H3,(H,22,27)(H,23,26)(H,24,28);1H/t13-,15-,16-;/m0./s1
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n/an/a 270n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014591
PNG
(CHEMBL3261764)
Show SMILES Cl.N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C22H26ClN5O6S.ClH/c23-15-6-8-17(9-7-15)35(33,34)28-13-16(11-19(28)22(31)27-32)26-20(29)12-25-21(30)18(24)10-14-4-2-1-3-5-14;/h1-9,16,18-19,32H,10-13,24H2,(H,25,30)(H,26,29)(H,27,31);1H/t16-,18-,19-;/m0./s1
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n/an/a 430n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014592
PNG
(CHEMBL3261765)
Show SMILES Cl.CSCC[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C18H26ClN5O6S2.ClH/c1-31-7-6-14(20)17(26)21-9-16(25)22-12-8-15(18(27)23-28)24(10-12)32(29,30)13-4-2-11(19)3-5-13;/h2-5,12,14-15,28H,6-10,20H2,1H3,(H,21,26)(H,22,25)(H,23,27);1H/t12-,14-,15-;/m0./s1
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n/an/a 460n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014583
PNG
(CHEMBL3261756)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)CC(C)C |r|
Show InChI InChI=1S/C20H31N5O7S.ClH/c1-12(2)8-16(21)19(27)22-10-18(26)23-13-9-17(20(28)24-29)25(11-13)33(30,31)15-6-4-14(32-3)5-7-15;/h4-7,12-13,16-17,29H,8-11,21H2,1-3H3,(H,22,27)(H,23,26)(H,24,28);1H/t13-,16-,17-;/m0./s1
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n/an/a 520n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014585
PNG
(CHEMBL3261758)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H29N5O7S.ClH/c1-35-17-7-9-18(10-8-17)36(33,34)28-14-16(12-20(28)23(31)27-32)26-21(29)13-25-22(30)19(24)11-15-5-3-2-4-6-15;/h2-10,16,19-20,32H,11-14,24H2,1H3,(H,25,30)(H,26,29)(H,27,31);1H/t16-,19-,20-;/m0./s1
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n/an/a 720n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014586
PNG
(CHEMBL3261759)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)CCSC |r|
Show InChI InChI=1S/C19H29N5O7S2.ClH/c1-31-13-3-5-14(6-4-13)33(29,30)24-11-12(9-16(24)19(27)23-28)22-17(25)10-21-18(26)15(20)7-8-32-2;/h3-6,12,15-16,28H,7-11,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,27);1H/t12-,15-,16-;/m0./s1
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n/an/a 760n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014593
PNG
(CHEMBL3261750)
Show SMILES Cl.CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H31N5O6S.ClH/c1-12(2)8-16(21)19(27)22-10-18(26)23-14-9-17(20(28)24-29)25(11-14)32(30,31)15-6-4-13(3)5-7-15;/h4-7,12,14,16-17,29H,8-11,21H2,1-3H3,(H,22,27)(H,23,26)(H,24,28);1H/t14-,16-,17-;/m0./s1
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n/an/a 870n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
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 950n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014567
PNG
(CHEMBL3261752)
Show SMILES Cl.Cc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H29N5O6S.ClH/c1-15-7-9-18(10-8-15)35(33,34)28-14-17(12-20(28)23(31)27-32)26-21(29)13-25-22(30)19(24)11-16-5-3-2-4-6-16;/h2-10,17,19-20,32H,11-14,24H2,1H3,(H,25,30)(H,26,29)(H,27,31);1H/t17-,19-,20-;/m0./s1
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n/an/a 980n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014580
PNG
(CHEMBL3261753)
Show SMILES Cl.CSCC[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H29N5O6S2.ClH/c1-12-3-5-14(6-4-12)32(29,30)24-11-13(9-16(24)19(27)23-28)22-17(25)10-21-18(26)15(20)7-8-31-2;/h3-6,13,15-16,28H,7-11,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,27);1H/t13-,15-,16-;/m0./s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014590
PNG
(CHEMBL3261763)
Show SMILES Cl.CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H28ClN5O6S.ClH/c1-3-11(2)17(21)19(28)22-9-16(26)23-13-8-15(18(27)24-29)25(10-13)32(30,31)14-6-4-12(20)5-7-14;/h4-7,11,13,15,17,29H,3,8-10,21H2,1-2H3,(H,22,28)(H,23,26)(H,24,27);1H/t11-,13-,15-,17-;/m0./s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014596
PNG
(CHEMBL3261744)
Show SMILES Cl.CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C19H29N5O6S.ClH/c1-12(2)8-15(20)18(26)21-10-17(25)22-13-9-16(19(27)23-28)24(11-13)31(29,30)14-6-4-3-5-7-14;/h3-7,12-13,15-16,28H,8-11,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,27);1H/t13-,15-,16-;/m0./s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
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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n/an/a 1.64E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014588
PNG
(CHEMBL3261761)
Show SMILES Cl.CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C18H26ClN5O6S.ClH/c1-10(2)16(20)18(27)21-8-15(25)22-12-7-14(17(26)23-28)24(9-12)31(29,30)13-5-3-11(19)4-6-13;/h3-6,10,12,14,16,28H,7-9,20H2,1-2H3,(H,21,27)(H,22,25)(H,23,26);1H/t12-,14-,16-;/m0./s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014584
PNG
(CHEMBL3261757)
Show SMILES Cl.CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H31N5O7S.ClH/c1-4-12(2)18(21)20(28)22-10-17(26)23-13-9-16(19(27)24-29)25(11-13)33(30,31)15-7-5-14(32-3)6-8-15;/h5-8,12-13,16,18,29H,4,9-11,21H2,1-3H3,(H,22,28)(H,23,26)(H,24,27);1H/t12-,13-,16-,18-;/m0./s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014604
PNG
(CHEMBL3261751)
Show SMILES Cl.CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H31N5O6S.ClH/c1-4-13(3)18(21)20(28)22-10-17(26)23-14-9-16(19(27)24-29)25(11-14)32(30,31)15-7-5-12(2)6-8-15;/h5-8,13-14,16,18,29H,4,9-11,21H2,1-3H3,(H,22,28)(H,23,26)(H,24,27);1H/t13-,14-,16-,18-;/m0./s1
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n/an/a 2.05E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014598
PNG
(CHEMBL3261746)
Show SMILES Cl.N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H27N5O6S.ClH/c23-18(11-15-7-3-1-4-8-15)21(29)24-13-20(28)25-16-12-19(22(30)26-31)27(14-16)34(32,33)17-9-5-2-6-10-17;/h1-10,16,18-19,31H,11-14,23H2,(H,24,29)(H,25,28)(H,26,30);1H/t16-,18-,19-;/m0./s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014599
PNG
(CHEMBL3261747)
Show SMILES Cl.CSCC[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H27N5O6S2.ClH/c1-30-8-7-14(19)17(25)20-10-16(24)21-12-9-15(18(26)22-27)23(11-12)31(28,29)13-5-3-2-4-6-13;/h2-6,12,14-15,27H,7-11,19H2,1H3,(H,20,25)(H,21,24)(H,22,26);1H/t12-,14-,15-;/m0./s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014582
PNG
(CHEMBL3261755)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)C(C)C |r|
Show InChI InChI=1S/C19H29N5O7S.ClH/c1-11(2)17(20)19(27)21-9-16(25)22-12-8-15(18(26)23-28)24(10-12)32(29,30)14-6-4-13(31-3)5-7-14;/h4-7,11-12,15,17,28H,8-10,20H2,1-3H3,(H,21,27)(H,22,25)(H,23,26);1H/t12-,15-,17-;/m0./s1
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n/an/a 2.71E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014603
PNG
(CHEMBL3261749)
Show SMILES Cl.CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H29N5O6S.ClH/c1-11(2)17(20)19(27)21-9-16(25)22-13-8-15(18(26)23-28)24(10-13)31(29,30)14-6-4-12(3)5-7-14;/h4-7,11,13,15,17,28H,8-10,20H2,1-3H3,(H,21,27)(H,22,25)(H,23,26);1H/t13-,15-,17-;/m0./s1
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n/an/a 2.95E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014587
PNG
(CHEMBL3261760)
Show SMILES Cl.C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C16H22ClN5O6S.ClH/c1-9(18)15(24)19-7-14(23)20-11-6-13(16(25)21-26)22(8-11)29(27,28)12-4-2-10(17)3-5-12;/h2-5,9,11,13,26H,6-8,18H2,1H3,(H,19,24)(H,20,23)(H,21,25);1H/t9-,11-,13-;/m0./s1
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n/an/a 3.36E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014581
PNG
(CHEMBL3261754)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C17H25N5O7S.ClH/c1-10(18)16(24)19-8-15(23)20-11-7-14(17(25)21-26)22(9-11)30(27,28)13-5-3-12(29-2)4-6-13;/h3-6,10-11,14,26H,7-9,18H2,1-2H3,(H,19,24)(H,20,23)(H,21,25);1H/t10-,11-,14-;/m0./s1
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n/an/a 4.19E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014602
PNG
(CHEMBL3261748)
Show SMILES Cl.C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C17H25N5O6S.ClH/c1-10-3-5-13(6-4-10)29(27,28)22-9-12(7-14(22)17(25)21-26)20-15(23)8-19-16(24)11(2)18;/h3-6,11-12,14,26H,7-9,18H2,1-2H3,(H,19,24)(H,20,23)(H,21,25);1H/t11-,12-,14-;/m0./s1
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n/an/a 4.36E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014597
PNG
(CHEMBL3261745)
Show SMILES Cl.CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C19H29N5O6S.ClH/c1-3-12(2)17(20)19(27)21-10-16(25)22-13-9-15(18(26)23-28)24(11-13)31(29,30)14-7-5-4-6-8-14;/h4-8,12-13,15,17,28H,3,9-11,20H2,1-2H3,(H,21,27)(H,22,25)(H,23,26);1H/t12-,13-,15-,17-;/m0./s1
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n/an/a 5.21E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014595
PNG
(CHEMBL3261743)
Show SMILES Cl.CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H27N5O6S.ClH/c1-11(2)16(19)18(26)20-9-15(24)21-12-8-14(17(25)22-27)23(10-12)30(28,29)13-6-4-3-5-7-13;/h3-7,11-12,14,16,27H,8-10,19H2,1-2H3,(H,20,26)(H,21,24)(H,22,25);1H/t12-,14-,16-;/m0./s1
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n/an/a 5.76E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014594
PNG
(CHEMBL3261742)
Show SMILES Cl.C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C16H23N5O6S.ClH/c1-10(17)15(23)18-8-14(22)19-11-7-13(16(24)20-25)21(9-11)28(26,27)12-5-3-2-4-6-12;/h2-6,10-11,13,25H,7-9,17H2,1H3,(H,18,23)(H,19,22)(H,20,24);1H/t10-,11-,13-;/m0./s1
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n/an/a 7.43E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014589
PNG
(CHEMBL3261762)
Show SMILES Cl.CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H28ClN5O6S.ClH/c1-11(2)7-15(21)18(27)22-9-17(26)23-13-8-16(19(28)24-29)25(10-13)32(30,31)14-5-3-12(20)4-6-14;/h3-6,11,13,15-16,29H,7-10,21H2,1-2H3,(H,22,27)(H,23,26)(H,24,28);1H/t13-,15-,16-;/m0./s1
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n/an/a 1.84E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014591
PNG
(CHEMBL3261764)
Show SMILES Cl.N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C22H26ClN5O6S.ClH/c23-15-6-8-17(9-7-15)35(33,34)28-13-16(11-19(28)22(31)27-32)26-20(29)12-25-21(30)18(24)10-14-4-2-1-3-5-14;/h1-9,16,18-19,32H,10-13,24H2,(H,25,30)(H,26,29)(H,27,31);1H/t16-,18-,19-;/m0./s1
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n/an/a 2.47E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014592
PNG
(CHEMBL3261765)
Show SMILES Cl.CSCC[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C18H26ClN5O6S2.ClH/c1-31-7-6-14(20)17(26)21-9-16(25)22-12-8-15(18(27)23-28)24(10-12)32(29,30)13-4-2-11(19)3-5-13;/h2-5,12,14-15,28H,6-10,20H2,1H3,(H,21,26)(H,22,25)(H,23,27);1H/t12-,14-,15-;/m0./s1
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n/an/a 2.62E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014583
PNG
(CHEMBL3261756)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)CC(C)C |r|
Show InChI InChI=1S/C20H31N5O7S.ClH/c1-12(2)8-16(21)19(27)22-10-18(26)23-13-9-17(20(28)24-29)25(11-13)33(30,31)15-6-4-14(32-3)5-7-15;/h4-7,12-13,16-17,29H,8-11,21H2,1-3H3,(H,22,27)(H,23,26)(H,24,28);1H/t13-,16-,17-;/m0./s1
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n/an/a 2.97E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014585
PNG
(CHEMBL3261758)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H29N5O7S.ClH/c1-35-17-7-9-18(10-8-17)36(33,34)28-14-16(12-20(28)23(31)27-32)26-21(29)13-25-22(30)19(24)11-15-5-3-2-4-6-15;/h2-10,16,19-20,32H,11-14,24H2,1H3,(H,25,30)(H,26,29)(H,27,31);1H/t16-,19-,20-;/m0./s1
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n/an/a 3.15E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014586
PNG
(CHEMBL3261759)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)CCSC |r|
Show InChI InChI=1S/C19H29N5O7S2.ClH/c1-31-13-3-5-14(6-4-13)33(29,30)24-11-12(9-16(24)19(27)23-28)22-17(25)10-21-18(26)15(20)7-8-32-2;/h3-6,12,15-16,28H,7-11,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,27);1H/t12-,15-,16-;/m0./s1
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n/an/a 3.59E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50014593
PNG
(CHEMBL3261750)
Show SMILES Cl.CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H31N5O6S.ClH/c1-12(2)8-16(21)19(27)22-10-18(26)23-14-9-17(20(28)24-29)25(11-14)32(30,31)15-6-4-13(3)5-7-15;/h4-7,12,14,16-17,29H,8-11,21H2,1-3H3,(H,22,27)(H,23,26)(H,24,28);1H/t14-,16-,17-;/m0./s1
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n/an/a 3.83E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
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 4.38E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014589
PNG
(CHEMBL3261762)
Show SMILES Cl.CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H28ClN5O6S.ClH/c1-11(2)7-15(21)18(27)22-9-17(26)23-13-8-16(19(28)24-29)25(10-13)32(30,31)14-5-3-12(20)4-6-14;/h3-6,11,13,15-16,29H,7-10,21H2,1-2H3,(H,22,27)(H,23,26)(H,24,28);1H/t13-,15-,16-;/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 pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014593
PNG
(CHEMBL3261750)
Show SMILES Cl.CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H31N5O6S.ClH/c1-12(2)8-16(21)19(27)22-10-18(26)23-14-9-17(20(28)24-29)25(11-14)32(30,31)15-6-4-13(3)5-7-15;/h4-7,12,14,16-17,29H,8-11,21H2,1-3H3,(H,22,27)(H,23,26)(H,24,28);1H/t14-,16-,17-;/m0./s1
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n/an/a 7.58E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014588
PNG
(CHEMBL3261761)
Show SMILES Cl.CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C18H26ClN5O6S.ClH/c1-10(2)16(20)18(27)21-8-15(25)22-12-7-14(17(26)23-28)24(9-12)31(29,30)13-5-3-11(19)4-6-13;/h3-6,10,12,14,16,28H,7-9,20H2,1-2H3,(H,21,27)(H,22,25)(H,23,26);1H/t12-,14-,16-;/m0./s1
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n/an/a 7.96E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014596
PNG
(CHEMBL3261744)
Show SMILES Cl.CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C19H29N5O6S.ClH/c1-12(2)8-15(20)18(26)21-10-17(25)22-13-9-16(19(27)23-28)24(11-13)31(29,30)14-6-4-3-5-7-14;/h3-7,12-13,15-16,28H,8-11,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,27);1H/t13-,15-,16-;/m0./s1
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n/an/a 8.23E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014583
PNG
(CHEMBL3261756)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)CC(C)C |r|
Show InChI InChI=1S/C20H31N5O7S.ClH/c1-12(2)8-16(21)19(27)22-10-18(26)23-13-9-17(20(28)24-29)25(11-13)33(30,31)15-6-4-14(32-3)5-7-15;/h4-7,12-13,16-17,29H,8-11,21H2,1-3H3,(H,22,27)(H,23,26)(H,24,28);1H/t13-,16-,17-;/m0./s1
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n/an/a 8.36E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014590
PNG
(CHEMBL3261763)
Show SMILES Cl.CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H28ClN5O6S.ClH/c1-3-11(2)17(21)19(28)22-9-16(26)23-13-8-15(18(27)24-29)25(10-13)32(30,31)14-6-4-12(20)5-7-14;/h4-7,11,13,15,17,29H,3,8-10,21H2,1-2H3,(H,22,28)(H,23,26)(H,24,27);1H/t11-,13-,15-,17-;/m0./s1
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n/an/a 8.64E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014567
PNG
(CHEMBL3261752)
Show SMILES Cl.Cc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H29N5O6S.ClH/c1-15-7-9-18(10-8-15)35(33,34)28-14-17(12-20(28)23(31)27-32)26-21(29)13-25-22(30)19(24)11-16-5-3-2-4-6-16;/h2-10,17,19-20,32H,11-14,24H2,1H3,(H,25,30)(H,26,29)(H,27,31);1H/t17-,19-,20-;/m0./s1
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n/an/a 8.80E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014584
PNG
(CHEMBL3261757)
Show SMILES Cl.CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H31N5O7S.ClH/c1-4-12(2)18(21)20(28)22-10-17(26)23-13-9-16(19(27)24-29)25(11-13)33(30,31)15-7-5-14(32-3)6-8-15;/h5-8,12-13,16,18,29H,4,9-11,21H2,1-3H3,(H,22,28)(H,23,26)(H,24,27);1H/t12-,13-,16-,18-;/m0./s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014591
PNG
(CHEMBL3261764)
Show SMILES Cl.N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C22H26ClN5O6S.ClH/c23-15-6-8-17(9-7-15)35(33,34)28-13-16(11-19(28)22(31)27-32)26-20(29)12-25-21(30)18(24)10-14-4-2-1-3-5-14;/h1-9,16,18-19,32H,10-13,24H2,(H,25,30)(H,26,29)(H,27,31);1H/t16-,18-,19-;/m0./s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014582
PNG
(CHEMBL3261755)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)C(C)C |r|
Show InChI InChI=1S/C19H29N5O7S.ClH/c1-11(2)17(20)19(27)21-9-16(25)22-12-8-15(18(26)23-28)24(10-12)32(29,30)14-6-4-13(31-3)5-7-14;/h4-7,11-12,15,17,28H,8-10,20H2,1-3H3,(H,21,27)(H,22,25)(H,23,26);1H/t12-,15-,17-;/m0./s1
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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 pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014604
PNG
(CHEMBL3261751)
Show SMILES Cl.CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H31N5O6S.ClH/c1-4-13(3)18(21)20(28)22-10-17(26)23-14-9-16(19(27)24-29)25(11-14)32(30,31)15-7-5-12(2)6-8-15;/h5-8,13-14,16,18,29H,4,9-11,21H2,1-3H3,(H,22,28)(H,23,26)(H,24,27);1H/t13-,14-,16-,18-;/m0./s1
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n/an/a 9.26E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014585
PNG
(CHEMBL3261758)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 |r|
Show InChI InChI=1S/C23H29N5O7S.ClH/c1-35-17-7-9-18(10-8-17)36(33,34)28-14-16(12-20(28)23(31)27-32)26-21(29)13-25-22(30)19(24)11-15-5-3-2-4-6-15;/h2-10,16,19-20,32H,11-14,24H2,1H3,(H,25,30)(H,26,29)(H,27,31);1H/t16-,19-,20-;/m0./s1
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n/an/a 9.38E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014598
PNG
(CHEMBL3261746)
Show SMILES Cl.N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H27N5O6S.ClH/c23-18(11-15-7-3-1-4-8-15)21(29)24-13-20(28)25-16-12-19(22(30)26-31)27(14-16)34(32,33)17-9-5-2-6-10-17;/h1-10,16,18-19,31H,11-14,23H2,(H,24,29)(H,25,28)(H,26,30);1H/t16-,18-,19-;/m0./s1
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n/an/a 9.45E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014592
PNG
(CHEMBL3261765)
Show SMILES Cl.CSCC[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C18H26ClN5O6S2.ClH/c1-31-7-6-14(20)17(26)21-9-16(25)22-12-8-15(18(27)23-28)24(10-12)32(29,30)13-4-2-11(19)3-5-13;/h2-5,12,14-15,28H,6-10,20H2,1H3,(H,21,26)(H,22,25)(H,23,27);1H/t12-,14-,15-;/m0./s1
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n/an/a 9.53E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014603
PNG
(CHEMBL3261749)
Show SMILES Cl.CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H29N5O6S.ClH/c1-11(2)17(20)19(27)21-9-16(25)22-13-8-15(18(26)23-28)24(10-13)31(29,30)14-6-4-12(3)5-7-14;/h4-7,11,13,15,17,28H,8-10,20H2,1-3H3,(H,21,27)(H,22,25)(H,23,26);1H/t13-,15-,17-;/m0./s1
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n/an/a 9.62E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014580
PNG
(CHEMBL3261753)
Show SMILES Cl.CSCC[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H29N5O6S2.ClH/c1-12-3-5-14(6-4-12)32(29,30)24-11-13(9-16(24)19(27)23-28)22-17(25)10-21-18(26)15(20)7-8-31-2;/h3-6,13,15-16,28H,7-11,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,27);1H/t13-,15-,16-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014581
PNG
(CHEMBL3261754)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C17H25N5O7S.ClH/c1-10(18)16(24)19-8-15(23)20-11-7-14(17(25)21-26)22(9-11)30(27,28)13-5-3-12(29-2)4-6-13;/h3-6,10-11,14,26H,7-9,18H2,1-2H3,(H,19,24)(H,20,23)(H,21,25);1H/t10-,11-,14-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
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>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014586
PNG
(CHEMBL3261759)
Show SMILES Cl.COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@H]1C(=O)NO)NC(=O)CNC(=O)[C@@H](N)CCSC |r|
Show InChI InChI=1S/C19H29N5O7S2.ClH/c1-31-13-3-5-14(6-4-13)33(29,30)24-11-12(9-16(24)19(27)23-28)22-17(25)10-21-18(26)15(20)7-8-32-2;/h3-6,12,15-16,28H,7-11,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,27);1H/t12-,15-,16-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014594
PNG
(CHEMBL3261742)
Show SMILES Cl.C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C16H23N5O6S.ClH/c1-10(17)15(23)18-8-14(22)19-11-7-13(16(24)20-25)21(9-11)28(26,27)12-5-3-2-4-6-12;/h2-6,10-11,13,25H,7-9,17H2,1H3,(H,18,23)(H,19,22)(H,20,24);1H/t10-,11-,13-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014595
PNG
(CHEMBL3261743)
Show SMILES Cl.CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H27N5O6S.ClH/c1-11(2)16(19)18(26)20-9-15(24)21-12-8-14(17(25)22-27)23(10-12)30(28,29)13-6-4-3-5-7-13;/h3-7,11-12,14,16,27H,8-10,19H2,1-2H3,(H,20,26)(H,21,24)(H,22,25);1H/t12-,14-,16-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014599
PNG
(CHEMBL3261747)
Show SMILES Cl.CSCC[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H27N5O6S2.ClH/c1-30-8-7-14(19)17(25)20-10-16(24)21-12-9-15(18(26)22-27)23(11-12)31(28,29)13-5-3-2-4-6-13;/h2-6,12,14-15,27H,7-11,19H2,1H3,(H,20,25)(H,21,24)(H,22,26);1H/t12-,14-,15-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014602
PNG
(CHEMBL3261748)
Show SMILES Cl.C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
Show InChI InChI=1S/C17H25N5O6S.ClH/c1-10-3-5-13(6-4-10)29(27,28)22-9-12(7-14(22)17(25)21-26)20-15(23)8-19-16(24)11(2)18;/h3-6,11-12,14,26H,7-9,18H2,1-2H3,(H,19,24)(H,20,23)(H,21,25);1H/t11-,12-,14-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014587
PNG
(CHEMBL3261760)
Show SMILES Cl.C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO |r|
Show InChI InChI=1S/C16H22ClN5O6S.ClH/c1-9(18)15(24)19-7-14(23)20-11-6-13(16(25)21-26)22(8-11)29(27,28)12-4-2-10(17)3-5-12;/h2-5,9,11,13,26H,6-8,18H2,1H3,(H,19,24)(H,20,23)(H,21,25);1H/t9-,11-,13-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
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>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50014597
PNG
(CHEMBL3261745)
Show SMILES Cl.CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C19H29N5O6S.ClH/c1-3-12(2)17(20)19(27)21-10-16(25)22-13-9-15(18(26)23-28)24(11-13)31(29,30)14-7-5-4-6-8-14;/h4-8,12-13,15,17,28H,3,9-11,20H2,1-2H3,(H,21,27)(H,22,25)(H,23,26);1H/t12-,13-,15-,17-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 m...

Bioorg Med Chem 22: 3055-64 (2014)


Article DOI: 10.1016/j.bmc.2013.12.025
BindingDB Entry DOI: 10.7270/Q29888JP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%