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PubMed code 11412979

Compile data set for download or QSAR
Found 67 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))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 57n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (human))
BDBM50100904
PNG
(CHEMBL36615 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-eth...)
Show SMILES ON(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C=O
Show InChI InChI=1S/C16H14N2O3/c17-11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)21-10-9-18(20)12-19/h1-8,12,20H,9-10H2
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n/an/a 62n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100904
PNG
(CHEMBL36615 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-eth...)
Show SMILES ON(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C=O
Show InChI InChI=1S/C16H14N2O3/c17-11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)21-10-9-18(20)12-19/h1-8,12,20H,9-10H2
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n/an/a 400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100911
PNG
(CHEMBL415872 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES Cc1ccc(=O)n(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)n1
Show InChI InChI=1S/C22H20N4O4/c1-16-2-11-22(28)25(24-16)13-20(26(29)15-27)14-30-21-9-7-19(8-10-21)18-5-3-17(12-23)4-6-18/h2-11,15,20,29H,13-14H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100903
PNG
(CHEMBL41892 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-eth...)
Show SMILES CC(=O)N(O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C17H16N2O3/c1-13(20)19(21)10-11-22-17-8-6-16(7-9-17)15-4-2-14(12-18)3-5-15/h2-9,21H,10-11H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100915
PNG
(CHEMBL434204 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)CN1C(=O)CCC1=O
Show InChI InChI=1S/C21H19N3O5/c22-11-15-1-3-16(4-2-15)17-5-7-19(8-6-17)29-13-18(24(28)14-25)12-23-20(26)9-10-21(23)27/h1-8,14,18,28H,9-10,12-13H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100903
PNG
(CHEMBL41892 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-eth...)
Show SMILES CC(=O)N(O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C17H16N2O3/c1-13(20)19(21)10-11-22-17-8-6-16(7-9-17)15-4-2-14(12-18)3-5-15/h2-9,21H,10-11H2,1H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100905
PNG
(CHEMBL288510 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CC1(C)NC(=O)N(CCC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C1=O
Show InChI InChI=1S/C23H24N4O5/c1-23(2)21(29)26(22(30)25-23)12-11-19(27(31)15-28)14-32-20-9-7-18(8-10-20)17-5-3-16(13-24)4-6-17/h3-10,15,19,31H,11-12,14H2,1-2H3,(H,25,30)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100918
PNG
(CHEMBL41102 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES CC1(C)NC(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22N4O5/c1-22(2)20(28)25(21(29)24-22)12-18(26(30)14-27)13-31-19-9-7-17(8-10-19)16-5-3-15(11-23)4-6-16/h3-10,14,18,30H,12-13H2,1-2H3,(H,24,29)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100912
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-propionic acid | CHE...)
Show SMILES OC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H13NO3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)20-10-9-16(18)19/h1-8H,9-10H2,(H,18,19)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100908
PNG
(CHEMBL41100 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)Cn1c(O)c[nH]c1=O
Show InChI InChI=1S/C20H18N4O5/c21-9-14-1-3-15(4-2-14)16-5-7-18(8-6-16)29-12-17(24(28)13-25)11-23-19(26)10-22-20(23)27/h1-8,10,13,17,26,28H,11-12H2,(H,22,27)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100902
PNG
(CHEMBL288067 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CN1C(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C23H24N4O5/c1-23(2)21(29)26(22(30)25(23)3)13-19(27(31)15-28)14-32-20-10-8-18(9-11-20)17-6-4-16(12-24)5-7-17/h4-11,15,19,31H,13-14H2,1-3H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100912
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-propionic acid | CHE...)
Show SMILES OC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H13NO3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)20-10-9-16(18)19/h1-8H,9-10H2,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100915
PNG
(CHEMBL434204 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)CN1C(=O)CCC1=O
Show InChI InChI=1S/C21H19N3O5/c22-11-15-1-3-16(4-2-15)17-5-7-19(8-6-17)29-13-18(24(28)14-25)12-23-20(26)9-10-21(23)27/h1-8,14,18,28H,9-10,12-13H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100917
PNG
(CHEMBL288592 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CCN1C(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C24H26N4O5/c1-4-27-23(31)26(22(30)24(27,2)3)14-20(28(32)16-29)15-33-21-11-9-19(10-12-21)18-7-5-17(13-25)6-8-18/h5-12,16,20,32H,4,14-15H2,1-3H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100908
PNG
(CHEMBL41100 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)Cn1c(O)c[nH]c1=O
Show InChI InChI=1S/C20H18N4O5/c21-9-14-1-3-15(4-2-14)16-5-7-18(8-6-16)29-12-17(24(28)13-25)11-23-19(26)10-22-20(23)27/h1-8,10,13,17,26,28H,11-12H2,(H,22,27)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100909
PNG
(CHEMBL290457 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CN1C(=O)N(CCC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C24H26N4O5/c1-24(2)22(30)27(23(31)26(24)3)13-12-20(28(32)16-29)15-33-21-10-8-19(9-11-21)18-6-4-17(14-25)5-7-18/h4-11,16,20,32H,12-13,15H2,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100899
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-2-methyl-p...)
Show SMILES CC(COc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C17H16N2O3/c1-12(17(20)19-21)11-22-16-8-6-15(7-9-16)14-4-2-13(10-18)3-5-14/h2-9,12,21H,11H2,1H3,(H,19,20)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100900
PNG
(CHEMBL38717 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H19N3O5/c26-13-17-5-7-18(8-6-17)19-9-11-21(12-10-19)33-15-20(28(32)16-29)14-27-24(30)22-3-1-2-4-23(22)25(27)31/h1-12,16,20,32H,14-15H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100918
PNG
(CHEMBL41102 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES CC1(C)NC(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22N4O5/c1-22(2)20(28)25(21(29)24-22)12-18(26(30)14-27)13-31-19-9-7-17(8-10-19)16-5-3-15(11-23)4-6-16/h3-10,14,18,30H,12-13H2,1-2H3,(H,24,29)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100916
PNG
(CHEMBL288701 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CC1(C)CC(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1
Show InChI InChI=1S/C24H25N3O5/c1-24(2)11-22(29)26(23(30)12-24)14-20(27(31)16-28)15-32-21-9-7-19(8-10-21)18-5-3-17(13-25)4-6-18/h3-10,16,20,31H,11-12,14-15H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100917
PNG
(CHEMBL288592 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CCN1C(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C24H26N4O5/c1-4-27-23(31)26(22(30)24(27,2)3)14-20(28(32)16-29)15-33-21-11-9-19(10-12-21)18-7-5-17(13-25)6-8-18/h5-12,16,20,32H,4,14-15H2,1-3H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100905
PNG
(CHEMBL288510 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CC1(C)NC(=O)N(CCC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C1=O
Show InChI InChI=1S/C23H24N4O5/c1-23(2)21(29)26(22(30)25-23)12-11-19(27(31)15-28)14-32-20-9-7-18(8-10-20)17-5-3-16(13-24)4-6-17/h3-10,15,19,31H,11-12,14H2,1-2H3,(H,25,30)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100910
PNG
(CHEMBL43026 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...)
Show SMILES NC(=O)N(O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-19(21)16(18)20/h1-8,21H,9-10H2,(H2,18,20)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100913
PNG
(CHEMBL39358 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)CSc1ccccc1
Show InChI InChI=1S/C23H20N2O3S/c24-14-18-6-8-19(9-7-18)20-10-12-22(13-11-20)28-15-21(25(27)17-26)16-29-23-4-2-1-3-5-23/h1-13,17,21,27H,15-16H2
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n/an/a 3.60E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100916
PNG
(CHEMBL288701 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CC1(C)CC(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1
Show InChI InChI=1S/C24H25N3O5/c1-24(2)11-22(29)26(23(30)12-24)14-20(27(31)16-28)15-32-21-9-7-19(8-10-21)18-5-3-17(13-25)4-6-18/h3-10,16,20,31H,11-12,14-15H2,1-2H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100900
PNG
(CHEMBL38717 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H19N3O5/c26-13-17-5-7-18(8-6-17)19-9-11-21(12-10-19)33-15-20(28(32)16-29)14-27-24(30)22-3-1-2-4-23(22)25(27)31/h1-12,16,20,32H,14-15H2
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n/an/a 3.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100911
PNG
(CHEMBL415872 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES Cc1ccc(=O)n(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)n1
Show InChI InChI=1S/C22H20N4O4/c1-16-2-11-22(28)25(24-16)13-20(26(29)15-27)14-30-21-9-7-19(8-10-21)18-5-3-17(12-23)4-6-18/h2-11,15,20,29H,13-14H2,1H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100909
PNG
(CHEMBL290457 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CN1C(=O)N(CCC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C24H26N4O5/c1-24(2)22(30)27(23(31)26(24)3)13-12-20(28(32)16-29)15-33-21-10-8-19(9-11-21)18-6-4-17(14-25)5-7-18/h4-11,16,20,32H,12-13,15H2,1-3H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100899
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-2-methyl-p...)
Show SMILES CC(COc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C17H16N2O3/c1-12(17(20)19-21)11-22-16-8-6-15(7-9-16)14-4-2-13(10-18)3-5-14/h2-9,12,21H,11H2,1H3,(H,19,20)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100910
PNG
(CHEMBL43026 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...)
Show SMILES NC(=O)N(O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-19(21)16(18)20/h1-8,21H,9-10H2,(H2,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100898
PNG
(CHEMBL41928 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...)
Show SMILES ONC(=O)NCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-18-16(20)19-21/h1-8,21H,9-10H2,(H2,18,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100904
PNG
(CHEMBL36615 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-eth...)
Show SMILES ON(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C=O
Show InChI InChI=1S/C16H14N2O3/c17-11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)21-10-9-18(20)12-19/h1-8,12,20H,9-10H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100902
PNG
(CHEMBL288067 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CN1C(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C23H24N4O5/c1-23(2)21(29)26(22(30)25(23)3)13-19(27(31)15-28)14-32-20-10-8-18(9-11-20)17-6-4-16(12-24)5-7-17/h4-11,15,19,31H,13-14H2,1-3H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100919
PNG
(CHEMBL41067 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-1-m...)
Show SMILES CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O
Show InChI InChI=1S/C17H16N2O3/c1-13(19(21)12-20)11-22-17-8-6-16(7-9-17)15-4-2-14(10-18)3-5-15/h2-9,12-13,21H,11H2,1H3
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n/an/a 7.60E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100898
PNG
(CHEMBL41928 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...)
Show SMILES ONC(=O)NCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-18-16(20)19-21/h1-8,21H,9-10H2,(H2,18,19,20)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100898
PNG
(CHEMBL41928 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...)
Show SMILES ONC(=O)NCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-18-16(20)19-21/h1-8,21H,9-10H2,(H2,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100910
PNG
(CHEMBL43026 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...)
Show SMILES NC(=O)N(O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-19(21)16(18)20/h1-8,21H,9-10H2,(H2,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100914
PNG
(CHEMBL42862 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES CC(C)CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O
Show InChI InChI=1S/C20H22N2O3/c1-15(2)11-19(22(24)14-23)13-25-20-9-7-18(8-10-20)17-5-3-16(12-21)4-6-17/h3-10,14-15,19,24H,11,13H2,1-2H3
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n/an/a 1.20E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100907
PNG
(CHEMBL41485 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-1-p...)
Show SMILES ON(C=O)C(COc1ccccc1)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H20N2O4/c24-14-18-6-8-19(9-7-18)20-10-12-23(13-11-20)29-16-21(25(27)17-26)15-28-22-4-2-1-3-5-22/h1-13,17,21,27H,15-16H2
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n/an/a 1.30E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100913
PNG
(CHEMBL39358 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)CSc1ccccc1
Show InChI InChI=1S/C23H20N2O3S/c24-14-18-6-8-19(9-7-18)20-10-12-22(13-11-20)28-15-21(25(27)17-26)16-29-23-4-2-1-3-5-23/h1-13,17,21,27H,15-16H2
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n/an/a 1.60E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100901
PNG
(CHEMBL289108 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H19FN2O3/c24-21-9-3-17(4-10-21)13-22(26(28)16-27)15-29-23-11-7-20(8-12-23)19-5-1-18(14-25)2-6-19/h1-12,16,22,28H,13,15H2
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n/an/a 1.80E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100907
PNG
(CHEMBL41485 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-1-p...)
Show SMILES ON(C=O)C(COc1ccccc1)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H20N2O4/c24-14-18-6-8-19(9-7-18)20-10-12-23(13-11-20)29-16-21(25(27)17-26)15-28-22-4-2-1-3-5-22/h1-13,17,21,27H,15-16H2
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n/an/a 2.60E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100906
PNG
(CHEMBL39035 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-1-(...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN2O3/c23-20-9-5-19(6-10-20)22(25(27)15-26)14-28-21-11-7-18(8-12-21)17-3-1-16(13-24)2-4-17/h1-12,15,22,27H,14H2
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n/an/a 3.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100916
PNG
(CHEMBL288701 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CC1(C)CC(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1
Show InChI InChI=1S/C24H25N3O5/c1-24(2)11-22(29)26(23(30)12-24)14-20(27(31)16-28)15-32-21-9-7-19(8-10-21)18-5-3-17(13-25)4-6-18/h3-10,16,20,31H,11-12,14-15H2,1-2H3
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n/an/a 3.60E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100906
PNG
(CHEMBL39035 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-1-(...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN2O3/c23-20-9-5-19(6-10-20)22(25(27)15-26)14-28-21-11-7-18(8-12-21)17-3-1-16(13-24)2-4-17/h1-12,15,22,27H,14H2
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n/an/a 4.80E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100919
PNG
(CHEMBL41067 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-1-m...)
Show SMILES CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O
Show InChI InChI=1S/C17H16N2O3/c1-13(19(21)12-20)11-22-17-8-6-16(7-9-17)15-4-2-14(10-18)3-5-15/h2-9,12-13,21H,11H2,1H3
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n/an/a 6.20E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100901
PNG
(CHEMBL289108 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H19FN2O3/c24-21-9-3-17(4-10-21)13-22(26(28)16-27)15-29-23-11-7-20(8-12-23)19-5-1-18(14-25)2-6-19/h1-12,16,22,28H,13,15H2
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n/an/a 6.50E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100914
PNG
(CHEMBL42862 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES CC(C)CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O
Show InChI InChI=1S/C20H22N2O3/c1-15(2)11-19(22(24)14-23)13-25-20-9-7-18(8-10-20)17-5-3-16(12-21)4-6-17/h3-10,14-15,19,24H,11,13H2,1-2H3
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n/an/a 9.50E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100918
PNG
(CHEMBL41102 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES CC1(C)NC(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22N4O5/c1-22(2)20(28)25(21(29)24-22)12-18(26(30)14-27)13-31-19-9-7-17(8-10-19)16-5-3-15(11-23)4-6-16/h3-10,14,18,30H,12-13H2,1-2H3,(H,24,29)
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n/an/a 2.10E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100902
PNG
(CHEMBL288067 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CN1C(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C23H24N4O5/c1-23(2)21(29)26(22(30)25(23)3)13-19(27(31)15-28)14-32-20-10-8-18(9-11-20)17-6-4-16(12-24)5-7-17/h4-11,15,19,31H,13-14H2,1-3H3
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n/an/a 2.30E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100908
PNG
(CHEMBL41100 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)Cn1c(O)c[nH]c1=O
Show InChI InChI=1S/C20H18N4O5/c21-9-14-1-3-15(4-2-14)16-5-7-18(8-6-16)29-12-17(24(28)13-25)11-23-19(26)10-22-20(23)27/h1-8,10,13,17,26,28H,11-12H2,(H,22,27)
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n/an/a 2.40E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100917
PNG
(CHEMBL288592 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CCN1C(=O)N(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C24H26N4O5/c1-4-27-23(31)26(22(30)24(27,2)3)14-20(28(32)16-29)15-33-21-11-9-19(10-12-21)18-7-5-17(13-25)6-8-18/h5-12,16,20,32H,4,14-15H2,1-3H3
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n/an/a 2.40E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100899
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-2-methyl-p...)
Show SMILES CC(COc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C17H16N2O3/c1-12(17(20)19-21)11-22-16-8-6-15(7-9-16)14-4-2-13(10-18)3-5-14/h2-9,12,21H,11H2,1H3,(H,19,20)
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n/an/a 2.50E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100913
PNG
(CHEMBL39358 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)CSc1ccccc1
Show InChI InChI=1S/C23H20N2O3S/c24-14-18-6-8-19(9-7-18)20-10-12-22(13-11-20)28-15-21(25(27)17-26)16-29-23-4-2-1-3-5-23/h1-13,17,21,27H,15-16H2
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n/an/a 4.10E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100911
PNG
(CHEMBL415872 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES Cc1ccc(=O)n(CC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)n1
Show InChI InChI=1S/C22H20N4O4/c1-16-2-11-22(28)25(24-16)13-20(26(29)15-27)14-30-21-9-7-19(8-10-21)18-5-3-17(12-23)4-6-18/h2-11,15,20,29H,13-14H2,1H3
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n/an/a 4.20E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100909
PNG
(CHEMBL290457 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CN1C(=O)N(CCC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C24H26N4O5/c1-24(2)22(30)27(23(31)26(24)3)13-12-20(28(32)16-29)15-33-21-10-8-19(9-11-21)18-6-4-17(14-25)5-7-18/h4-11,16,20,32H,12-13,15H2,1-3H3
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n/an/a>1.00E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100919
PNG
(CHEMBL41067 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-1-m...)
Show SMILES CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O
Show InChI InChI=1S/C17H16N2O3/c1-13(19(21)12-20)11-22-17-8-6-16(7-9-17)15-4-2-14(10-18)3-5-15/h2-9,12-13,21H,11H2,1H3
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n/an/a>1.00E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100914
PNG
(CHEMBL42862 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES CC(C)CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O
Show InChI InChI=1S/C20H22N2O3/c1-15(2)11-19(22(24)14-23)13-25-20-9-7-18(8-10-20)17-5-3-16(12-21)4-6-17/h3-10,14-15,19,24H,11,13H2,1-2H3
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n/an/a>1.00E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100900
PNG
(CHEMBL38717 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H19N3O5/c26-13-17-5-7-18(8-6-17)19-9-11-21(12-10-19)33-15-20(28(32)16-29)14-27-24(30)22-3-1-2-4-23(22)25(27)31/h1-12,16,20,32H,14-15H2
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n/an/a>1.00E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100907
PNG
(CHEMBL41485 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-1-p...)
Show SMILES ON(C=O)C(COc1ccccc1)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H20N2O4/c24-14-18-6-8-19(9-7-18)20-10-12-23(13-11-20)29-16-21(25(27)17-26)15-28-22-4-2-1-3-5-22/h1-13,17,21,27H,15-16H2
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n/an/a>1.00E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100915
PNG
(CHEMBL434204 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)CN1C(=O)CCC1=O
Show InChI InChI=1S/C21H19N3O5/c22-11-15-1-3-16(4-2-15)17-5-7-19(8-6-17)29-13-18(24(28)14-25)12-23-20(26)9-10-21(23)27/h1-8,14,18,28H,9-10,12-13H2
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n/an/a>1.00E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100906
PNG
(CHEMBL39035 | N-[2-(4'-Cyano-biphenyl-4-yloxy)-1-(...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN2O3/c23-20-9-5-19(6-10-20)22(25(27)15-26)14-28-21-11-7-18(8-12-21)17-3-1-16(13-24)2-4-17/h1-12,15,22,27H,14H2
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n/an/a>1.00E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100901
PNG
(CHEMBL289108 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES ON(C=O)C(COc1ccc(cc1)-c1ccc(cc1)C#N)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H19FN2O3/c24-21-9-3-17(4-10-21)13-22(26(28)16-27)15-29-23-11-7-20(8-12-23)19-5-1-18(14-25)2-6-19/h1-12,16,22,28H,13,15H2
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n/an/a 1.40E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100905
PNG
(CHEMBL288510 | N-[1-(4'-Cyano-biphenyl-4-yloxymeth...)
Show SMILES CC1(C)NC(=O)N(CCC(COc2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C1=O
Show InChI InChI=1S/C23H24N4O5/c1-23(2)21(29)26(22(30)25-23)12-11-19(27(31)15-28)14-32-20-9-7-18(8-10-20)17-5-3-16(13-24)4-6-17/h3-10,15,19,31H,11-12,14H2,1-2H3,(H,25,30)
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n/an/a 1.40E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%