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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 422.5
BDBM50069214
Wt: 409.4
BDBM50069218
Wt: 407.5
BDBM50069221
Wt: 471.5
BDBM50069228
Wt: 470.6
BDBM50076995
Wt: 427.4
BDBM50096463
Wt: 414.4
BDBM50105450
Wt: 386.4
BDBM50135601
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: 385.5
BDBM50290436
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

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

Found 137 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))
BDBM50069218
PNG
((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50076995
PNG
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/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-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
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM50069218
PNG
((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloprotease-9


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM50069214
PNG
((2R,3R)-N*4*-((S)-5-Amino-1-methylcarbamoyl-pentyl...)
Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C21H34N4O5/c1-21(29,20(28)25-30)16(12-8-11-15-9-4-3-5-10-15)18(26)24-17(19(27)23-2)13-6-7-14-22/h3-5,9-10,16-17,29-30H,6-8,11-14,22H2,1-2H3,(H,23,27)(H,24,26)(H,25,28)/t16-,17-,21+/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloprotease-9


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM50069221
PNG
((2R,3R)-N*4*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C21H33N3O5/c1-20(2,3)16(18(26)22-5)23-17(25)15(21(4,28)19(27)24-29)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15-16,28-29H,9,12-13H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16+,21+/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloprotease-9


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM50076995
PNG
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/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-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 (1 and 13)


(homo sapiens (human))
BDBM50076995
PNG
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/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 2/9


(Homo sapiens (Human))
BDBM50069228
PNG
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C25H33N3O6/c1-25(32,24(31)28-33)20(11-7-10-17-8-5-4-6-9-17)22(29)27-21(23(30)26-2)16-18-12-14-19(34-3)15-13-18/h4-6,8-9,12-15,20-21,32-33H,7,10-11,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-,21-,25+/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloprotease-9


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50076995
PNG
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/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 (MMP1)


(homo sapiens (human))
BDBM50069228
PNG
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C25H33N3O6/c1-25(32,24(31)28-33)20(11-7-10-17-8-5-4-6-9-17)22(29)27-21(23(30)26-2)16-18-12-14-19(34-3)15-13-18/h4-6,8-9,12-15,20-21,32-33H,7,10-11,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-,21-,25+/m0/s1
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2n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
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))
BDBM50076995
PNG
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1
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3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (human fibroblast stromelysin)


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
Stromelysin-1


(Homo sapiens (human))
BDBM50069228
PNG
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C25H33N3O6/c1-25(32,24(31)28-33)20(11-7-10-17-8-5-4-6-9-17)22(29)27-21(23(30)26-2)16-18-12-14-19(34-3)15-13-18/h4-6,8-9,12-15,20-21,32-33H,7,10-11,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-,21-,25+/m0/s1
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3n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity against human matrix metalloproteinase-3.


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50076995
PNG
((6S,9R,10S)-10-Hydroxycarbamoyl-9-isobutyl-6-methy...)
Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H42N4O6/c1-15(2)14-17-16(20(29)26-32)10-9-13-27(22(31)33-23(3,4)5)12-8-7-11-18(21(30)24-6)25-19(17)28/h15-18,32H,7-14H2,1-6H3,(H,24,30)(H,25,28)(H,26,29)/t16-,17+,18-/m0/s1
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3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3.


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
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
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
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
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
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-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
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 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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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
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
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 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 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
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
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 (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
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))
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 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
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
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
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))
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
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
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
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
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