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13 similar compounds to monomer 50104963

Compile data set for download or QSAR
Wt: 460.5
BDBM50107581
Wt: 370.3
BDBM50104965
Wt: 370.3
BDBM50104966
Wt: 384.4
BDBM50104968
Wt: 384.4
BDBM50104970
Wt: 453.5
BDBM50126046
Wt: 509.5
BDBM50126050
Wt: 523.6
BDBM50126051
Wt: 481.5
BDBM50126052
Wt: 495.5
BDBM50126053
Wt: 425.4
BDBM50126055
Wt: 467.5
BDBM50126056
Wt: 453.5
BDBM50264776

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50107581,50104965,50104966,50104968,50104970,50126046,50126050,50126051,50126052,50126053,50126055,50126056,50264776   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM50264776
PNG
((2S,3R)-N1-hydroxy-N4-((1S,2R)-2-hydroxy-2,3-dihyd...)
Show SMILES CC1(CN[C@@H]([C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)NO)CC1
Show InChI InChI=1S/C25H31N3O5/c1-25(9-10-25)14-26-22(24(32)28-33)19(12-15-5-4-7-17(29)11-15)23(31)27-21-18-8-3-2-6-16(18)13-20(21)30/h2-8,11,19-22,26,29-30,33H,9-10,12-14H2,1H3,(H,27,31)(H,28,32)/t19-,20-,21+,22+/m1/s1
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<1n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50107581
PNG
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)
Show SMILES COc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C27H28N2O5/c1-34-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(31)29-33)27(32)28-26-23-8-3-2-5-20(23)15-24(26)30/h2-12,14,21,24,26,30,33H,13,15-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase B (MMP-9)


Bioorg Med Chem Lett 12: 101-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00704-1
BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50107581
PNG
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)
Show SMILES COc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C27H28N2O5/c1-34-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(31)29-33)27(32)28-26-23-8-3-2-5-20(23)15-24(26)30/h2-12,14,21,24,26,30,33H,13,15-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1
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<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase A (MMP-2)


Bioorg Med Chem Lett 12: 101-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00704-1
BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104968
PNG
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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9.20n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104968
PNG
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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52n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104966
PNG
(CHEMBL420487 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-7-5-12(6-8-15)9-14(11-18(25)22-27)20(26)21-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,23-24,27H,9-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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70n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104966
PNG
(CHEMBL420487 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-7-5-12(6-8-15)9-14(11-18(25)22-27)20(26)21-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,23-24,27H,9-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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166n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104968
PNG
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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203n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104966
PNG
(CHEMBL420487 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-7-5-12(6-8-15)9-14(11-18(25)22-27)20(26)21-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,23-24,27H,9-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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408n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50104966
PNG
(CHEMBL420487 | N*4*-Hydroxy-2-(4-hydroxy-benzyl)-N...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-7-5-12(6-8-15)9-14(11-18(25)22-27)20(26)21-19-16-4-2-1-3-13(16)10-17(19)24/h1-8,14,17,19,23-24,27H,9-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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946n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50104968
PNG
(CHEMBL114804 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-8-6-13(7-9-16)10-15(12-19(25)23-27)21(26)22-20-17-5-3-2-4-14(17)11-18(20)24/h2-9,15,18,20,24,27H,10-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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1.16E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104970
PNG
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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1.19E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104965
PNG
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)
Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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1.51E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase A (MMP-2)


Bioorg Med Chem Lett 12: 101-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00704-1
BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104965
PNG
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)
Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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1.51E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126053
PNG
((2R,3S)-2-(1-Acetyl-piperidin-4-yl)-N*1*-hydroxy-3...)
Show SMILES CC(=O)N1CCC(CC1)[C@@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)NO
Show InChI InChI=1S/C27H33N3O6/c1-16(31)30-11-9-18(10-12-30)24(27(35)29-36)22(14-17-5-4-7-20(32)13-17)26(34)28-25-21-8-3-2-6-19(21)15-23(25)33/h2-8,13,18,22-25,32-33,36H,9-12,14-15H2,1H3,(H,28,34)(H,29,35)/t22-,23-,24+,25+/m1/s1
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1.74E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 1297-300 (2003)


Article DOI: 10.1016/s0960-894x(03)00124-0
BindingDB Entry DOI: 10.7270/Q2930SJ4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126055
PNG
(2-Azetidin-3-yl-N*1*-hydroxy-3-((S)-3-hydroxy-benz...)
Show SMILES ONC(=O)[C@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C1CNC1
Show InChI InChI=1S/C23H27N3O5/c27-16-6-3-4-13(8-16)9-18(20(23(30)26-31)15-11-24-12-15)22(29)25-21-17-7-2-1-5-14(17)10-19(21)28/h1-8,15,18-21,24,27-28,31H,9-12H2,(H,25,29)(H,26,30)/t18-,19-,20+,21+/m1/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 1297-300 (2003)


Article DOI: 10.1016/s0960-894x(03)00124-0
BindingDB Entry DOI: 10.7270/Q2930SJ4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126056
PNG
(CHEMBL24054 | N*4*-Hydroxy-2-((S)-3-hydroxy-benzyl...)
Show SMILES CN1CCC(CC1)[C@@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)NO
Show InChI InChI=1S/C26H33N3O5/c1-29-11-9-17(10-12-29)23(26(33)28-34)21(14-16-5-4-7-19(30)13-16)25(32)27-24-20-8-3-2-6-18(20)15-22(24)31/h2-8,13,17,21-24,30-31,34H,9-12,14-15H2,1H3,(H,27,32)(H,28,33)/t21-,22-,23+,24+/m1/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 1297-300 (2003)


Article DOI: 10.1016/s0960-894x(03)00124-0
BindingDB Entry DOI: 10.7270/Q2930SJ4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126050
PNG
((2R,3S)-2-(1-Acetyl-piperidin-4-ylmethyl)-N*1*-hyd...)
Show SMILES CC(=O)N1CCC(C[C@@H]([C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)NO)CC1
Show InChI InChI=1S/C28H35N3O6/c1-17(32)31-11-9-18(10-12-31)14-24(28(36)30-37)23(15-19-5-4-7-21(33)13-19)27(35)29-26-22-8-3-2-6-20(22)16-25(26)34/h2-8,13,18,23-26,33-34,37H,9-12,14-16H2,1H3,(H,29,35)(H,30,36)/t23-,24+,25-,26+/m1/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 1297-300 (2003)


Article DOI: 10.1016/s0960-894x(03)00124-0
BindingDB Entry DOI: 10.7270/Q2930SJ4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126052
PNG
((2R,3S)-2-(1-Ethyl-piperidin-4-yl)-N*1*-hydroxy-3-...)
Show SMILES CCN1CCC(CC1)[C@@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)NO
Show InChI InChI=1S/C27H35N3O5/c1-2-30-12-10-18(11-13-30)24(27(34)29-35)22(15-17-6-5-8-20(31)14-17)26(33)28-25-21-9-4-3-7-19(21)16-23(25)32/h3-9,14,18,22-25,31-32,35H,2,10-13,15-16H2,1H3,(H,28,33)(H,29,34)/t22-,23-,24+,25+/m1/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 1297-300 (2003)


Article DOI: 10.1016/s0960-894x(03)00124-0
BindingDB Entry DOI: 10.7270/Q2930SJ4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126051
PNG
(CHEMBL26388 | N*4*-Hydroxy-2-((S)-3-hydroxy-benzyl...)
Show SMILES CCC(=O)N1CCC(C[C@@H]([C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)NO)CC1
Show InChI InChI=1S/C29H37N3O6/c1-2-26(35)32-12-10-18(11-13-32)15-24(29(37)31-38)23(16-19-6-5-8-21(33)14-19)28(36)30-27-22-9-4-3-7-20(22)17-25(27)34/h3-9,14,18,23-25,27,33-34,38H,2,10-13,15-17H2,1H3,(H,30,36)(H,31,37)/t23-,24+,25-,27+/m1/s1
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 1297-300 (2003)


Article DOI: 10.1016/s0960-894x(03)00124-0
BindingDB Entry DOI: 10.7270/Q2930SJ4
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50264776
PNG
((2S,3R)-N1-hydroxy-N4-((1S,2R)-2-hydroxy-2,3-dihyd...)
Show SMILES CC1(CN[C@@H]([C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)NO)CC1
Show InChI InChI=1S/C25H31N3O5/c1-25(9-10-25)14-26-22(24(32)28-33)19(12-15-5-4-7-17(29)11-15)23(31)27-21-18-8-3-2-6-16(18)13-20(21)30/h2-8,11,19-22,26,29-30,33H,9-10,12-14H2,1H3,(H,27,31)(H,28,32)/t19-,20-,21+,22+/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104965
PNG
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)
Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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3.32E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104965
PNG
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)
Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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3.32E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase B (MMP-9)


Bioorg Med Chem Lett 12: 101-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00704-1
BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50126046
PNG
(CHEMBL24763 | N*4*-Hydroxy-2-((S)-3-hydroxy-benzyl...)
Show SMILES ONC(=O)[C@H]([C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C1CCNCC1
Show InChI InChI=1S/C25H31N3O5/c29-18-6-3-4-15(12-18)13-20(22(25(32)28-33)16-8-10-26-11-9-16)24(31)27-23-19-7-2-1-5-17(19)14-21(23)30/h1-7,12,16,20-23,26,29-30,33H,8-11,13-14H2,(H,27,31)(H,28,32)/t20-,21-,22+,23+/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 1297-300 (2003)


Article DOI: 10.1016/s0960-894x(03)00124-0
BindingDB Entry DOI: 10.7270/Q2930SJ4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50264776
PNG
((2S,3R)-N1-hydroxy-N4-((1S,2R)-2-hydroxy-2,3-dihyd...)
Show SMILES CC1(CN[C@@H]([C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)NO)CC1
Show InChI InChI=1S/C25H31N3O5/c1-25(9-10-25)14-26-22(24(32)28-33)19(12-15-5-4-7-17(29)11-15)23(31)27-21-18-8-3-2-6-16(18)13-20(21)30/h2-8,11,19-22,26,29-30,33H,9-10,12-14H2,1H3,(H,27,31)(H,28,32)/t19-,20-,21+,22+/m1/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50264776
PNG
((2S,3R)-N1-hydroxy-N4-((1S,2R)-2-hydroxy-2,3-dihyd...)
Show SMILES CC1(CN[C@@H]([C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)NO)CC1
Show InChI InChI=1S/C25H31N3O5/c1-25(9-10-25)14-26-22(24(32)28-33)19(12-15-5-4-7-17(29)11-15)23(31)27-21-18-8-3-2-6-16(18)13-20(21)30/h2-8,11,19-22,26,29-30,33H,9-10,12-14H2,1H3,(H,27,31)(H,28,32)/t19-,20-,21+,22+/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50107581
PNG
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)
Show SMILES COc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C27H28N2O5/c1-34-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(31)29-33)27(32)28-26-23-8-3-2-5-20(23)15-24(26)30/h2-12,14,21,24,26,30,33H,13,15-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for neutrophil collagenase (MMP-1)


Bioorg Med Chem Lett 12: 101-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00704-1
BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50264776
PNG
((2S,3R)-N1-hydroxy-N4-((1S,2R)-2-hydroxy-2,3-dihyd...)
Show SMILES CC1(CN[C@@H]([C@@H](Cc2cccc(O)c2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)NO)CC1
Show InChI InChI=1S/C25H31N3O5/c1-25(9-10-25)14-26-22(24(32)28-33)19(12-15-5-4-7-17(29)11-15)23(31)27-21-18-8-3-2-6-16(18)13-20(21)30/h2-8,11,19-22,26,29-30,33H,9-10,12-14H2,1H3,(H,27,31)(H,28,32)/t19-,20-,21+,22+/m1/s1
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5.25E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104970
PNG
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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6.60E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104965
PNG
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)
Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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8.60E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104970
PNG
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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1.55E+4n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50104965
PNG
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)
Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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3.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for neutrophil collagenase (MMP-1)


Bioorg Med Chem Lett 12: 101-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00704-1
BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50104965
PNG
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)
Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1
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3.10E+4n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50104970
PNG
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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9.55E+4n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair