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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 384.5
BDBM50450368
Wt: 437.4
BDBM50013124
Wt: 443.5
BDBM50367930
Wt: 370.4
BDBM50076993
Wt: 439.4
BDBM50082214
Wt: 427.4
BDBM50096463
Wt: 465.4
BDBM50105439
Wt: 414.4
BDBM50105450
Wt: 390.3
BDBM50171860
Wt: 426.3
BDBM50291702
Wt: 444.3
BDBM50291704
Wt: 458.3
BDBM50291705
Wt: 408.3
BDBM50291707
Wt: 448.4
BDBM50291708
Wt: 411.4
BDBM50287489
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 125 hits in this display   
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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076993
PNG
((2S,11S,12R)-12-Isobutyl-13-oxo-1,7diaza-cyclotrid...)
Show SMILES CNC(=O)[C@@H]1CCCCNCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C18H34N4O4/c1-12(2)11-14-13(17(24)22-26)7-6-10-20-9-5-4-8-15(18(25)19-3)21-16(14)23/h12-15,20,26H,4-11H2,1-3H3,(H,19,25)(H,21,23)(H,22,24)/t13-,14+,15-/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50076993
PNG
((2S,11S,12R)-12-Isobutyl-13-oxo-1,7diaza-cyclotrid...)
Show SMILES CNC(=O)[C@@H]1CCCCNCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C18H34N4O4/c1-12(2)11-14-13(17(24)22-26)7-6-10-20-9-5-4-8-15(18(25)19-3)21-16(14)23/h12-15,20,26H,4-11H2,1-3H3,(H,19,25)(H,21,23)(H,22,24)/t13-,14+,15-/m0/s1
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<1n/an/an/an/an/an/an/an/a



The DuPont Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Inhibition of MMP-1 (human fibroblast collagenase)


Bioorg Med Chem Lett 9: 1279-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00178-x
BindingDB Entry DOI: 10.7270/Q2T43TK4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3 (MMP-3)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Matrix metalloproteinase (2 and 3)


(Homo sapiens (human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM50291704
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50291704
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 2021-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00292-0
BindingDB Entry DOI: 10.7270/Q2KW5FFZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM50291702
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1
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5n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50291702
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1
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5n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Matrix metalloproteinase-9


Bioorg Med Chem Lett 13: 2021-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00292-0
BindingDB Entry DOI: 10.7270/Q2KW5FFZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5.10n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition constant for human matrix metalloprotease-9 (MMP-9)


J Med Chem 48: 5437-47 (2005)


Article DOI: 10.1021/jm049050v
BindingDB Entry DOI: 10.7270/Q2Z89BZ5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2021-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00292-0
BindingDB Entry DOI: 10.7270/Q2KW5FFZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase (2 and 3)


(Homo sapiens (human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3 (MMP-3)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50291702
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1
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6n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50291702
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1
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6n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 2021-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00292-0
BindingDB Entry DOI: 10.7270/Q2KW5FFZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50291704
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50291704
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase (2 and 3)


(Homo sapiens (human))
BDBM50291702
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50291702
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3 (MMP-3)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50291704
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50291704
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3 (MMP-3)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50171860
PNG
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)
Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor necrosis factor-alpha converting enzyme


Bioorg Med Chem Lett 13: 2021-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00292-0
BindingDB Entry DOI: 10.7270/Q2KW5FFZ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50291707
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50291707
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3 (MMP-3)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50291707
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1
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11n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50291707
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1
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11n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 930-6 (2002)


Article DOI: 10.1021/jm010349c
BindingDB Entry DOI: 10.7270/Q2QV3KS7
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50291707
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1
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11n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50291707
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1
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11n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50076993
PNG
((2S,11S,12R)-12-Isobutyl-13-oxo-1,7diaza-cyclotrid...)
Show SMILES CNC(=O)[C@@H]1CCCCNCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C18H34N4O4/c1-12(2)11-14-13(17(24)22-26)7-6-10-20-9-5-4-8-15(18(25)19-3)21-16(14)23/h12-15,20,26H,4-11H2,1-3H3,(H,19,25)(H,21,23)(H,22,24)/t13-,14+,15-/m0/s1
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13n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50076993
PNG
((2S,11S,12R)-12-Isobutyl-13-oxo-1,7diaza-cyclotrid...)
Show SMILES CNC(=O)[C@@H]1CCCCNCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
Show InChI InChI=1S/C18H34N4O4/c1-12(2)11-14-13(17(24)22-26)7-6-10-20-9-5-4-8-15(18(25)19-3)21-16(14)23/h12-15,20,26H,4-11H2,1-3H3,(H,19,25)(H,21,23)(H,22,24)/t13-,14+,15-/m0/s1
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13n/an/an/an/an/an/an/an/a



The DuPont Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B)


Bioorg Med Chem Lett 9: 1279-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00178-x
BindingDB Entry DOI: 10.7270/Q2T43TK4
More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM50291708
PNG
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)
Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31-/m1/s1
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14n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50291708
PNG
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)
Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31-/m1/s1
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30n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50291704
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1
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36n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50291702
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1
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125n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50291704
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1
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358n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50291705
PNG
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1
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411n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50291702
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1
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483n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(homo sapiens (human))
BDBM50291708
PNG
((S)-[4-(2-Ethoxy-ethoxy)-phenyl]-((R)-3-hydroxycar...)
Show SMILES CCOCCOc1ccc(cc1)[P@@](=O)(OCC)N1Cc2ccccc2C[C@@H]1C(=O)NO
Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)/t21-,31-/m1/s1
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573n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 581-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00796-x
BindingDB Entry DOI: 10.7270/Q2K64HCM
More data for this
Ligand-Target Pair
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