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PubMed code 15341955

Compile data set for download or QSAR
Found 52 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
Collagenase


(Homo sapiens (Human))
BDBM50152636
PNG
(((4S,5S)-2-Benzyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES OC[C@@H]1N=C(Cc2ccccc2)O[C@H]1C=C
Show InChI InChI=1S/C13H15NO2/c1-2-12-11(9-15)14-13(16-12)8-10-6-4-3-5-7-10/h2-7,11-12,15H,1,8-9H2/t11-,12-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152645
PNG
(CHEMBL187079 | [(4S,5S)-2-((Z)-4-Phenyl-buta-1,3-d...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)\C=C/C=C/c1ccccc1
Show InChI InChI=1S/C16H17NO2/c1-2-15-14(12-18)17-16(19-15)11-7-6-10-13-8-4-3-5-9-13/h2-11,14-15,18H,1,12H2/b10-6+,11-7-/t14-,15-/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152634
PNG
(CHEMBL181707 | [(4S,5S)-2-(4-Bromo-phenyl)-5-vinyl...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccc(Br)cc1
Show InChI InChI=1S/C12H12BrNO2/c1-2-11-10(7-15)14-12(16-11)8-3-5-9(13)6-4-8/h2-6,10-11,15H,1,7H2/t10-,11-/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152650
PNG
(CHEMBL186648 | {(4S,5S)-2-[2-(4-Bromo-phenyl)-viny...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C14H14BrNO2/c1-2-13-12(9-17)16-14(18-13)8-5-10-3-6-11(15)7-4-10/h2-8,12-13,17H,1,9H2/b8-5+/t12-,13-/m0/s1
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2.20E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152653
PNG
(((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazo...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO2/c1-2-17-16(12-20)19-18(21-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11,16-17,20H,1,12H2/t16-,17-/m0/s1
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2.40E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152642
PNG
((4S,5S)-2-(4-Bromo-phenyl)-4-phenylsulfanyl-5-viny...)
Show SMILES Brc1ccc(cc1)C1=N[C@@H](Sc2ccccc2)[C@@H](O1)C=C
Show InChI InChI=1S/C17H14BrNOS/c1-2-15-17(21-14-6-4-3-5-7-14)19-16(20-15)12-8-10-13(18)11-9-12/h2-11,15,17H,1H2/t15-,17-/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase-1; No activity upto solubility limit


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152646
PNG
(CHEMBL187282 | [(4S,5S)-2-(4-Phenoxy-phenyl)-5-vin...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H17NO3/c1-2-17-16(12-20)19-18(22-17)13-8-10-15(11-9-13)21-14-6-4-3-5-7-14/h2-11,16-17,20H,1,12H2/t16-,17-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152645
PNG
(CHEMBL187079 | [(4S,5S)-2-((Z)-4-Phenyl-buta-1,3-d...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)\C=C/C=C/c1ccccc1
Show InChI InChI=1S/C16H17NO2/c1-2-15-14(12-18)17-16(19-15)11-7-6-10-13-8-4-3-5-9-13/h2-11,14-15,18H,1,12H2/b10-6+,11-7-/t14-,15-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152640
PNG
(CHEMBL424792 | [(4S,5S)-2-(4-Chloro-phenyl)-5-viny...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H12ClNO2/c1-2-11-10(7-15)14-12(16-11)8-3-5-9(13)6-4-8/h2-6,10-11,15H,1,7H2/t10-,11-/m0/s1
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3.30E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152641
PNG
(((4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)\C=C\c1ccccc1
Show InChI InChI=1S/C14H15NO2/c1-2-13-12(10-16)15-14(17-13)9-8-11-6-4-3-5-7-11/h2-9,12-13,16H,1,10H2/b9-8+/t12-,13-/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152644
PNG
(((4S,5S)-2-Phenylethynyl-5-vinyl-4,5-dihydro-oxazo...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)C#Cc1ccccc1
Show InChI InChI=1S/C14H13NO2/c1-2-13-12(10-16)15-14(17-13)9-8-11-6-4-3-5-7-11/h2-7,12-13,16H,1,10H2/t12-,13-/m0/s1
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4.60E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50152645
PNG
(CHEMBL187079 | [(4S,5S)-2-((Z)-4-Phenyl-buta-1,3-d...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)\C=C/C=C/c1ccccc1
Show InChI InChI=1S/C16H17NO2/c1-2-15-14(12-18)17-16(19-15)11-7-6-10-13-8-4-3-5-9-13/h2-11,14-15,18H,1,12H2/b10-6+,11-7-/t14-,15-/m0/s1
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4.90E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-12


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152630
PNG
((4S,5S)-4-Phenylsulfanyl-2-p-tolyl-5-vinyl-4,5-dih...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](Sc2ccccc2)[C@@H](O1)C=C
Show InChI InChI=1S/C18H17NOS/c1-3-16-18(21-15-7-5-4-6-8-15)19-17(20-16)14-11-9-13(2)10-12-14/h3-12,16,18H,1H2,2H3/t16-,18-/m0/s1
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6.40E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152644
PNG
(((4S,5S)-2-Phenylethynyl-5-vinyl-4,5-dihydro-oxazo...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)C#Cc1ccccc1
Show InChI InChI=1S/C14H13NO2/c1-2-13-12(10-16)15-14(17-13)9-8-11-6-4-3-5-7-11/h2-7,12-13,16H,1,10H2/t12-,13-/m0/s1
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6.50E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152657
PNG
(((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazol-4-yl...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](CO)[C@@H](O1)C=C
Show InChI InChI=1S/C13H15NO2/c1-3-12-11(8-15)14-13(16-12)10-6-4-9(2)5-7-10/h3-7,11-12,15H,1,8H2,2H3/t11-,12-/m0/s1
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6.80E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152633
PNG
(CHEMBL363953 | Thioacetic acid S-((4S,5S)-2-biphen...)
Show SMILES CC(=O)S[C@@H]1N=C(O[C@H]1C=C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-3-17-19(23-13(2)21)20-18(22-17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h3-12,17,19H,1H2,2H3/t17-,19-/m0/s1
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8.10E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152647
PNG
(CHEMBL363675 | Thioacetic acid S-[(4S,5S)-2-(4-bro...)
Show SMILES CC(=O)S[C@@H]1N=C(O[C@H]1C=C)c1ccc(Br)cc1
Show InChI InChI=1S/C13H12BrNO2S/c1-3-11-13(18-8(2)16)15-12(17-11)9-4-6-10(14)7-5-9/h3-7,11,13H,1H2,2H3/t11-,13-/m0/s1
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8.80E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152637
PNG
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazole-4-th...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](S)[C@@H](O1)C=C
Show InChI InChI=1S/C12H13NOS/c1-3-10-12(15)13-11(14-10)9-6-4-8(2)5-7-9/h3-7,10,12,15H,1H2,2H3/t10-,12-/m0/s1
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8.80E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152635
PNG
((4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazole-4-thi...)
Show SMILES S[C@@H]1N=C(O[C@H]1C=C)\C=C\c1ccccc1
Show InChI InChI=1S/C13H13NOS/c1-2-11-13(16)14-12(15-11)9-8-10-6-4-3-5-7-10/h2-9,11,13,16H,1H2/b9-8+/t11-,13-/m0/s1
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9.20E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152635
PNG
((4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazole-4-thi...)
Show SMILES S[C@@H]1N=C(O[C@H]1C=C)\C=C\c1ccccc1
Show InChI InChI=1S/C13H13NOS/c1-2-11-13(16)14-12(15-11)9-8-10-6-4-3-5-7-10/h2-9,11,13,16H,1H2/b9-8+/t11-,13-/m0/s1
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9.40E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152642
PNG
((4S,5S)-2-(4-Bromo-phenyl)-4-phenylsulfanyl-5-viny...)
Show SMILES Brc1ccc(cc1)C1=N[C@@H](Sc2ccccc2)[C@@H](O1)C=C
Show InChI InChI=1S/C17H14BrNOS/c1-2-15-17(21-14-6-4-3-5-7-14)19-16(20-15)12-8-10-13(18)11-9-12/h2-11,15,17H,1H2/t15-,17-/m0/s1
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9.40E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152648
PNG
((4S,5S)-2-(4-Chloro-phenyl)-5-vinyl-4,5-dihydro-ox...)
Show SMILES S[C@@H]1N=C(O[C@H]1C=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClNOS/c1-2-9-11(15)13-10(14-9)7-3-5-8(12)6-4-7/h2-6,9,11,15H,1H2/t9-,11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152631
PNG
(CHEMBL364212 | Thioacetic acid S-[(4S,5S)-2-((E)-s...)
Show SMILES CC(=O)S[C@@H]1N=C(O[C@H]1C=C)\C=C\c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c1-3-13-15(19-11(2)17)16-14(18-13)10-9-12-7-5-4-6-8-12/h3-10,13,15H,1H2,2H3/b10-9+/t13-,15-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152638
PNG
((4S,5S)-2-Biphenyl-4-yl-4-phenylsulfanyl-5-vinyl-4...)
Show SMILES C=C[C@@H]1OC(=N[C@H]1Sc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19NOS/c1-2-21-23(26-20-11-7-4-8-12-20)24-22(25-21)19-15-13-18(14-16-19)17-9-5-3-6-10-17/h2-16,21,23H,1H2/t21-,23-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152654
PNG
(CHEMBL360868 | Thioacetic acid S-((4S,5S)-2-p-toly...)
Show SMILES CC(=O)S[C@@H]1N=C(O[C@H]1C=C)c1ccc(C)cc1
Show InChI InChI=1S/C14H15NO2S/c1-4-12-14(18-10(3)16)15-13(17-12)11-7-5-9(2)6-8-11/h4-8,12,14H,1H2,2-3H3/t12-,14-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152649
PNG
((4S,5S)-4-Phenylsulfanyl-2-((E)-styryl)-5-vinyl-4,...)
Show SMILES C=C[C@@H]1OC(\C=C\c2ccccc2)=N[C@H]1Sc1ccccc1
Show InChI InChI=1S/C19H17NOS/c1-2-17-19(22-16-11-7-4-8-12-16)20-18(21-17)14-13-15-9-5-3-6-10-15/h2-14,17,19H,1H2/b14-13+/t17-,19-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152631
PNG
(CHEMBL364212 | Thioacetic acid S-[(4S,5S)-2-((E)-s...)
Show SMILES CC(=O)S[C@@H]1N=C(O[C@H]1C=C)\C=C\c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c1-3-13-15(19-11(2)17)16-14(18-13)10-9-12-7-5-4-6-8-12/h3-10,13,15H,1H2,2H3/b10-9+/t13-,15-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152643
PNG
(CHEMBL364775 | [(4S,5S)-2-(4-Nitro-phenyl)-5-vinyl...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H12N2O4/c1-2-11-10(7-15)13-12(18-11)8-3-5-9(6-4-8)14(16)17/h2-6,10-11,15H,1,7H2/t10-,11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152648
PNG
((4S,5S)-2-(4-Chloro-phenyl)-5-vinyl-4,5-dihydro-ox...)
Show SMILES S[C@@H]1N=C(O[C@H]1C=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClNOS/c1-2-9-11(15)13-10(14-9)7-3-5-8(12)6-4-7/h2-6,9,11,15H,1H2/t9-,11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50152643
PNG
(CHEMBL364775 | [(4S,5S)-2-(4-Nitro-phenyl)-5-vinyl...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H12N2O4/c1-2-11-10(7-15)13-12(18-11)8-3-5-9(6-4-8)14(16)17/h2-6,10-11,15H,1,7H2/t10-,11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-12


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152651
PNG
((4S,5S)-2-(4-Bromo-phenyl)-5-vinyl-4,5-dihydro-oxa...)
Show SMILES S[C@@H]1N=C(O[C@H]1C=C)c1ccc(Br)cc1
Show InChI InChI=1S/C11H10BrNOS/c1-2-9-11(15)13-10(14-9)7-3-5-8(12)6-4-7/h2-6,9,11,15H,1H2/t9-,11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152637
PNG
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazole-4-th...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](S)[C@@H](O1)C=C
Show InChI InChI=1S/C12H13NOS/c1-3-10-12(15)13-11(14-10)9-6-4-8(2)5-7-9/h3-7,10,12,15H,1H2,2H3/t10-,12-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152649
PNG
((4S,5S)-4-Phenylsulfanyl-2-((E)-styryl)-5-vinyl-4,...)
Show SMILES C=C[C@@H]1OC(\C=C\c2ccccc2)=N[C@H]1Sc1ccccc1
Show InChI InChI=1S/C19H17NOS/c1-2-17-19(22-16-11-7-4-8-12-16)20-18(21-17)14-13-15-9-5-3-6-10-15/h2-14,17,19H,1H2/b14-13+/t17-,19-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152652
PNG
(CHEMBL184148 | Thioacetic acid S-[(4S,5S)-2-(4-chl...)
Show SMILES CC(=O)S[C@@H]1N=C(O[C@H]1C=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H12ClNO2S/c1-3-11-13(18-8(2)16)15-12(17-11)9-4-6-10(14)7-5-9/h3-7,11,13H,1H2,2H3/t11-,13-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152637
PNG
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazole-4-th...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](S)[C@@H](O1)C=C
Show InChI InChI=1S/C12H13NOS/c1-3-10-12(15)13-11(14-10)9-6-4-8(2)5-7-9/h3-7,10,12,15H,1H2,2H3/t10-,12-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152645
PNG
(CHEMBL187079 | [(4S,5S)-2-((Z)-4-Phenyl-buta-1,3-d...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)\C=C/C=C/c1ccccc1
Show InChI InChI=1S/C16H17NO2/c1-2-15-14(12-18)17-16(19-15)11-7-6-10-13-8-4-3-5-9-13/h2-11,14-15,18H,1,12H2/b10-6+,11-7-/t14-,15-/m0/s1
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1.53E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152651
PNG
((4S,5S)-2-(4-Bromo-phenyl)-5-vinyl-4,5-dihydro-oxa...)
Show SMILES S[C@@H]1N=C(O[C@H]1C=C)c1ccc(Br)cc1
Show InChI InChI=1S/C11H10BrNOS/c1-2-9-11(15)13-10(14-9)7-3-5-8(12)6-4-7/h2-6,9,11,15H,1H2/t9-,11-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152647
PNG
(CHEMBL363675 | Thioacetic acid S-[(4S,5S)-2-(4-bro...)
Show SMILES CC(=O)S[C@@H]1N=C(O[C@H]1C=C)c1ccc(Br)cc1
Show InChI InChI=1S/C13H12BrNO2S/c1-3-11-13(18-8(2)16)15-12(17-11)9-4-6-10(14)7-5-9/h3-7,11,13H,1H2,2H3/t11-,13-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152632
PNG
((4S,5S)-2-(4-Chloro-phenyl)-4-phenylsulfanyl-5-vin...)
Show SMILES Clc1ccc(cc1)C1=N[C@@H](Sc2ccccc2)[C@@H](O1)C=C
Show InChI InChI=1S/C17H14ClNOS/c1-2-15-17(21-14-6-4-3-5-7-14)19-16(20-15)12-8-10-13(18)11-9-12/h2-11,15,17H,1H2/t15-,17-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50152637
PNG
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazole-4-th...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](S)[C@@H](O1)C=C
Show InChI InChI=1S/C12H13NOS/c1-3-10-12(15)13-11(14-10)9-6-4-8(2)5-7-9/h3-7,10,12,15H,1H2,2H3/t10-,12-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-12


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50152631
PNG
(CHEMBL364212 | Thioacetic acid S-[(4S,5S)-2-((E)-s...)
Show SMILES CC(=O)S[C@@H]1N=C(O[C@H]1C=C)\C=C\c1ccccc1
Show InChI InChI=1S/C15H15NO2S/c1-3-13-15(19-11(2)17)16-14(18-13)10-9-12-7-5-4-6-8-12/h3-10,13,15H,1H2,2H3/b10-9+/t13-,15-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-12


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152650
PNG
(CHEMBL186648 | {(4S,5S)-2-[2-(4-Bromo-phenyl)-viny...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C14H14BrNO2/c1-2-13-12(9-17)16-14(18-13)8-5-10-3-6-11(15)7-4-10/h2-8,12-13,17H,1,9H2/b8-5+/t12-,13-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152640
PNG
(CHEMBL424792 | [(4S,5S)-2-(4-Chloro-phenyl)-5-viny...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H12ClNO2/c1-2-11-10(7-15)14-12(16-11)8-3-5-9(13)6-4-8/h2-6,10-11,15H,1,7H2/t10-,11-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50152634
PNG
(CHEMBL181707 | [(4S,5S)-2-(4-Bromo-phenyl)-5-vinyl...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccc(Br)cc1
Show InChI InChI=1S/C12H12BrNO2/c1-2-11-10(7-15)14-12(16-11)8-3-5-9(13)6-4-8/h2-6,10-11,15H,1,7H2/t10-,11-/m0/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-12


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152633
PNG
(CHEMBL363953 | Thioacetic acid S-((4S,5S)-2-biphen...)
Show SMILES CC(=O)S[C@@H]1N=C(O[C@H]1C=C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2S/c1-3-17-19(23-13(2)21)20-18(22-17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h3-12,17,19H,1H2,2H3/t17-,19-/m0/s1
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>4.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50152636
PNG
(((4S,5S)-2-Benzyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES OC[C@@H]1N=C(Cc2ccccc2)O[C@H]1C=C
Show InChI InChI=1S/C13H15NO2/c1-2-12-11(9-15)14-13(16-12)8-10-6-4-3-5-7-10/h2-7,11-12,15H,1,8-9H2/t11-,12-/m0/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152634
PNG
(CHEMBL181707 | [(4S,5S)-2-(4-Bromo-phenyl)-5-vinyl...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccc(Br)cc1
Show InChI InChI=1S/C12H12BrNO2/c1-2-11-10(7-15)14-12(16-11)8-3-5-9(13)6-4-8/h2-6,10-11,15H,1,7H2/t10-,11-/m0/s1
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>6.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152639
PNG
(((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccccc1
Show InChI InChI=1S/C12H13NO2/c1-2-11-10(8-14)13-12(15-11)9-6-4-3-5-7-9/h2-7,10-11,14H,1,8H2/t10-,11-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50152639
PNG
(((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccccc1
Show InChI InChI=1S/C12H13NO2/c1-2-11-10(8-14)13-12(15-11)9-6-4-3-5-7-9/h2-7,10-11,14H,1,8H2/t10-,11-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-12


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152655
PNG
(((4S,5S)-2-Heptyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES CCCCCCCC1=N[C@@H](CO)[C@@H](O1)C=C
Show InChI InChI=1S/C13H23NO2/c1-3-5-6-7-8-9-13-14-11(10-15)12(4-2)16-13/h4,11-12,15H,2-3,5-10H2,1H3/t11-,12-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152656
PNG
(((4S,5S)-2-Pentyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES CCCCCC1=N[C@@H](CO)[C@@H](O1)C=C
Show InChI InChI=1S/C11H19NO2/c1-3-5-6-7-11-12-9(8-13)10(4-2)14-11/h4,9-10,13H,2-3,5-8H2,1H3/t9-,10-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152639
PNG
(((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccccc1
Show InChI InChI=1S/C12H13NO2/c1-2-11-10(8-14)13-12(15-11)9-6-4-3-5-7-9/h2-7,10-11,14H,1,8H2/t10-,11-/m0/s1
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>4.00E+6n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%