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PubMed code 26386821

Compile data set for download or QSAR
Found 15 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))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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PubMed
n/an/a 2n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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PubMed
n/an/a 5.90n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50354624
PNG
(CHEMBL1834422 | US10357546, ND-322 | US9951035, ND...)
Show SMILES Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H15NO3S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14H,9-10,16H2
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n/an/a 64n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50120818
PNG
(CHEMBL3618462)
Show SMILES Cl.Nc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@H]2CS2)cc1 |r|
Show InChI InChI=1S/C15H15NO3S2.ClH/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14;/h1-8,14H,9-10,16H2;1H/t14-;/m1./s1
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n/an/a 145n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50264811
PNG
(CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)
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n/an/a 170n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50120817
PNG
(CHEMBL3618461)
Show SMILES Cl.Nc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@@H]2CS2)cc1 |r|
Show InChI InChI=1S/C15H15NO3S2.ClH/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14;/h1-8,14H,9-10,16H2;1H/t14-;/m0./s1
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n/an/a 235n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50120815
PNG
(CHEMBL3618463)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@@H]2CS2)cc1 |r|
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)/t16-/m0/s1
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n/an/a 256n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50120816
PNG
(CHEMBL3618464)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@H]2CS2)cc1 |r|
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)/t16-/m1/s1
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n/an/a 299n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50120816
PNG
(CHEMBL3618464)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@H]2CS2)cc1 |r|
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)/t16-/m1/s1
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n/an/a 429n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50264811
PNG
(CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)
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n/an/a 529n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50354624
PNG
(CHEMBL1834422 | US10357546, ND-322 | US9951035, ND...)
Show SMILES Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H15NO3S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14H,9-10,16H2
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n/an/a 611n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50120815
PNG
(CHEMBL3618463)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@@H]2CS2)cc1 |r|
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)/t16-/m0/s1
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PubMed
n/an/a 677n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50120817
PNG
(CHEMBL3618461)
Show SMILES Cl.Nc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@@H]2CS2)cc1 |r|
Show InChI InChI=1S/C15H15NO3S2.ClH/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14;/h1-8,14H,9-10,16H2;1H/t14-;/m0./s1
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n/an/a 710n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50120818
PNG
(CHEMBL3618462)
Show SMILES Cl.Nc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@H]2CS2)cc1 |r|
Show InChI InChI=1S/C15H15NO3S2.ClH/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14;/h1-8,14H,9-10,16H2;1H/t14-;/m1./s1
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n/an/a 833n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
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 6.90E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney microsomal APN using L-Leu-para-nitroanilide as substrate incubated for 2 hrs prior to substrate addition measured after...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%