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Compile Data Set for Download or QSAR

Found 172 hits Enz. Inhib. hit(s) with all data for entry = 50037109   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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0.0800n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109621
PNG
(CHEMBL425316 | [4-(4-Amino-phenoxy)-phenyl]-(3-hyd...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C24H26N3O5P/c1-2-31-33(30,22-13-11-21(12-14-22)32-20-9-7-19(25)8-10-20)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-29/h3-14,23,29H,2,15-16,25H2,1H3,(H,26,28)
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0.100n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109626
PNG
(Biphenyl-4-yl-(3-hydroxycarbamoyl-3,4-dihydro-1H-i...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H25N2O4P/c1-2-30-31(29,22-14-12-19(13-15-22)18-8-4-3-5-9-18)26-17-21-11-7-6-10-20(21)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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0.310n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109621
PNG
(CHEMBL425316 | [4-(4-Amino-phenoxy)-phenyl]-(3-hyd...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C24H26N3O5P/c1-2-31-33(30,22-13-11-21(12-14-22)32-20-9-7-19(25)8-10-20)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-29/h3-14,23,29H,2,15-16,25H2,1H3,(H,26,28)
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0.5n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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0.530n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109625
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C23H24N3O5P/c1-2-30-32(29,21-9-7-19(8-10-21)31-20-11-13-24-14-12-20)26-16-18-6-4-3-5-17(18)15-22(26)23(27)25-28/h3-14,22,28H,2,15-16H2,1H3,(H,25,27)
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0.600n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109629
PNG
((4-Fluoro-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN2O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12H2,1H3,(H,20,22)
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0.970n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109633
PNG
((3-Hydroxycarbamoyl-1,3,4,9-tetrahydro-beta-carbol...)
Show SMILES CCOP(=O)(N1Cc2[nH]c3ccccc3c2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,20,22,26H,3,12-13H2,1-2H3,(H,23,25)
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1.13n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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1.81n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109633
PNG
((3-Hydroxycarbamoyl-1,3,4,9-tetrahydro-beta-carbol...)
Show SMILES CCOP(=O)(N1Cc2[nH]c3ccccc3c2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,20,22,26H,3,12-13H2,1-2H3,(H,23,25)
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2.02n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109630
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OC)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C18H21N2O5P/c1-24-15-7-9-16(10-8-15)26(23,25-2)20-12-14-6-4-3-5-13(14)11-17(20)18(21)19-22/h3-10,17,22H,11-12H2,1-2H3,(H,19,21)
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2.03n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109633
PNG
((3-Hydroxycarbamoyl-1,3,4,9-tetrahydro-beta-carbol...)
Show SMILES CCOP(=O)(N1Cc2[nH]c3ccccc3c2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,20,22,26H,3,12-13H2,1-2H3,(H,23,25)
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2.04n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50109633
PNG
((3-Hydroxycarbamoyl-1,3,4,9-tetrahydro-beta-carbol...)
Show SMILES CCOP(=O)(N1Cc2[nH]c3ccccc3c2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,20,22,26H,3,12-13H2,1-2H3,(H,23,25)
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2.20n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109622
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCC1CCCCC1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H31N2O5P/c1-30-21-11-13-22(14-12-21)32(29,31-17-18-7-3-2-4-8-18)26-16-20-10-6-5-9-19(20)15-23(26)24(27)25-28/h5-6,9-14,18,23,28H,2-4,7-8,15-17H2,1H3,(H,25,27)
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2.43n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109630
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OC)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C18H21N2O5P/c1-24-15-7-9-16(10-8-15)26(23,25-2)20-12-14-6-4-3-5-13(14)11-17(20)18(21)19-22/h3-10,17,22H,11-12H2,1-2H3,(H,19,21)
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2.95n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50109614
PNG
(CHEMBL353536 | [4-(2-Ethoxy-ethoxy)-phenyl]-(3-hyd...)
Show SMILES CCOCCOc1ccc(cc1)P(=O)(OCC)N1Cc2ccccc2CC1C(=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)
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2.98n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109631
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccn1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H26N3O5P/c1-31-21-9-11-22(12-10-21)33(30,32-15-13-20-8-4-5-14-25-20)27-17-19-7-3-2-6-18(19)16-23(27)24(28)26-29/h2-12,14,23,29H,13,15-17H2,1H3,(H,26,28)
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3.14n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109631
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccn1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H26N3O5P/c1-31-21-9-11-22(12-10-21)33(30,32-15-13-20-8-4-5-14-25-20)27-17-19-7-3-2-6-18(19)16-23(27)24(28)26-29/h2-12,14,23,29H,13,15-17H2,1H3,(H,26,28)
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3.42n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109630
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OC)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C18H21N2O5P/c1-24-15-7-9-16(10-8-15)26(23,25-2)20-12-14-6-4-3-5-13(14)11-17(20)18(21)19-22/h3-10,17,22H,11-12H2,1-2H3,(H,19,21)
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3.64n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109624
PNG
((6-Hydroxycarbamoyl-6,7-dihydro-4H-thieno[3,2-c]py...)
Show SMILES CCOP(=O)(N1Cc2ccsc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N2O5PS/c1-3-24-25(22,14-6-4-13(23-2)5-7-14)19-11-12-8-9-26-16(12)10-15(19)17(20)18-21/h4-9,15,21H,3,10-11H2,1-2H3,(H,18,20)
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3.80n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109624
PNG
((6-Hydroxycarbamoyl-6,7-dihydro-4H-thieno[3,2-c]py...)
Show SMILES CCOP(=O)(N1Cc2ccsc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N2O5PS/c1-3-24-25(22,14-6-4-13(23-2)5-7-14)19-11-12-8-9-26-16(12)10-15(19)17(20)18-21/h4-9,15,21H,3,10-11H2,1-2H3,(H,18,20)
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4.10n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109626
PNG
(Biphenyl-4-yl-(3-hydroxycarbamoyl-3,4-dihydro-1H-i...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H25N2O4P/c1-2-30-31(29,22-14-12-19(13-15-22)18-8-4-3-5-9-18)26-17-21-11-7-6-10-20(21)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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4.36n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109618
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C25H27N2O5P/c1-31-22-11-13-23(14-12-22)33(30,32-16-15-19-7-3-2-4-8-19)27-18-21-10-6-5-9-20(21)17-24(27)25(28)26-29/h2-14,24,29H,15-18H2,1H3,(H,26,28)
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4.43n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109622
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCC1CCCCC1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H31N2O5P/c1-30-21-11-13-22(14-12-21)32(29,31-17-18-7-3-2-4-8-18)26-16-20-10-6-5-9-19(20)15-23(26)24(27)25-28/h5-6,9-14,18,23,28H,2-4,7-8,15-17H2,1H3,(H,25,27)
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4.56n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50370191
PNG
(CHEMBL366478)
Show SMILES CCO[P@](=O)(N1Cc2ccccc2CC1C(=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-/m0/s1
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4.58n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109625
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C23H24N3O5P/c1-2-30-32(29,21-9-7-19(8-10-21)31-20-11-13-24-14-12-20)26-16-18-6-4-3-5-17(18)15-22(26)23(27)25-28/h3-14,22,28H,2,15-16H2,1H3,(H,25,27)
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4.85n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109636
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(C)cc1
Show InChI InChI=1S/C19H23N2O4P/c1-3-25-26(24,17-10-8-14(2)9-11-17)21-13-16-7-5-4-6-15(16)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)
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4.90n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50370191
PNG
(CHEMBL366478)
Show SMILES CCO[P@](=O)(N1Cc2ccccc2CC1C(=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-/m0/s1
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5.05n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109639
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCCCCCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C23H31N2O5P/c1-3-4-5-8-15-30-31(28,21-13-11-20(29-2)12-14-21)25-17-19-10-7-6-9-18(19)16-22(25)23(26)24-27/h6-7,9-14,22,27H,3-5,8,15-17H2,1-2H3,(H,24,26)
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5.19n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109624
PNG
((6-Hydroxycarbamoyl-6,7-dihydro-4H-thieno[3,2-c]py...)
Show SMILES CCOP(=O)(N1Cc2ccsc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N2O5PS/c1-3-24-25(22,14-6-4-13(23-2)5-7-14)19-11-12-8-9-26-16(12)10-15(19)17(20)18-21/h4-9,15,21H,3,10-11H2,1-2H3,(H,18,20)
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5.20n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50370191
PNG
(CHEMBL366478)
Show SMILES CCO[P@](=O)(N1Cc2ccccc2CC1C(=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-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109637
PNG
(4-[Ethoxy-(4-methoxy-phenyl)-phosphinoyl]-3-hydrox...)
Show SMILES CCOP(=O)(N1CCN(CC1C(=O)NO)C(=O)OCc1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H28N3O7P/c1-3-32-33(29,19-11-9-18(30-2)10-12-19)25-14-13-24(15-20(25)21(26)23-28)22(27)31-16-17-7-5-4-6-8-17/h4-12,20,28H,3,13-16H2,1-2H3,(H,23,26)
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5.20n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109618
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C25H27N2O5P/c1-31-22-11-13-23(14-12-22)33(30,32-16-15-19-7-3-2-4-8-19)27-18-21-10-6-5-9-20(21)17-24(27)25(28)26-29/h2-14,24,29H,15-18H2,1H3,(H,26,28)
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5.22n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109627
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCCCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H27N2O5P/c1-3-4-13-28-29(26,19-11-9-18(27-2)10-12-19)23-15-17-8-6-5-7-16(17)14-20(23)21(24)22-25/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,22,24)
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5.39n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109634
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOCCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H27N2O6P/c1-3-28-12-13-29-30(26,19-10-8-18(27-2)9-11-19)23-15-17-7-5-4-6-16(17)14-20(23)21(24)22-25/h4-11,20,25H,3,12-15H2,1-2H3,(H,22,24)
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5.43n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109634
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOCCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H27N2O6P/c1-3-28-12-13-29-30(26,19-10-8-18(27-2)9-11-19)23-15-17-7-5-4-6-16(17)14-20(23)21(24)22-25/h4-11,20,25H,3,12-15H2,1-2H3,(H,22,24)
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6.36n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109631
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccn1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H26N3O5P/c1-31-21-9-11-22(12-10-21)33(30,32-15-13-20-8-4-5-14-25-20)27-17-19-7-3-2-6-18(19)16-23(27)24(28)26-29/h2-12,14,23,29H,13,15-17H2,1H3,(H,26,28)
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6.41n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50109624
PNG
((6-Hydroxycarbamoyl-6,7-dihydro-4H-thieno[3,2-c]py...)
Show SMILES CCOP(=O)(N1Cc2ccsc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N2O5PS/c1-3-24-25(22,14-6-4-13(23-2)5-7-14)19-11-12-8-9-26-16(12)10-15(19)17(20)18-21/h4-9,15,21H,3,10-11H2,1-2H3,(H,18,20)
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6.45n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109617
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccc(cc1)-c1ccccc1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C31H31N2O5P/c1-37-28-15-17-29(18-16-28)39(36,33-22-27-10-6-5-9-26(27)21-30(33)31(34)32-35)38-20-19-23-11-13-25(14-12-23)24-7-3-2-4-8-24/h2-18,30,35H,19-22H2,1H3,(H,32,34)
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6.47n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109621
PNG
(CHEMBL425316 | [4-(4-Amino-phenoxy)-phenyl]-(3-hyd...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C24H26N3O5P/c1-2-31-33(30,22-13-11-21(12-14-22)32-20-9-7-19(25)8-10-20)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-29/h3-14,23,29H,2,15-16,25H2,1H3,(H,26,28)
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6.5n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109639
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCCCCCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C23H31N2O5P/c1-3-4-5-8-15-30-31(28,21-13-11-20(29-2)12-14-21)25-17-19-10-7-6-9-18(19)16-22(25)23(26)24-27/h6-7,9-14,22,27H,3-5,8,15-17H2,1-2H3,(H,24,26)
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6.57n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109622
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCC1CCCCC1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H31N2O5P/c1-30-21-11-13-22(14-12-21)32(29,31-17-18-7-3-2-4-8-18)26-16-20-10-6-5-9-19(20)15-23(26)24(27)25-28/h5-6,9-14,18,23,28H,2-4,7-8,15-17H2,1H3,(H,25,27)
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6.67n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109634
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOCCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H27N2O6P/c1-3-28-12-13-29-30(26,19-10-8-18(27-2)9-11-19)23-15-17-7-5-4-6-16(17)14-20(23)21(24)22-25/h4-11,20,25H,3,12-15H2,1-2H3,(H,22,24)
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6.75n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50109616
PNG
((7-Hydroxycarbamoyl-7,8-dihydro-5H-pyrido[3,4-b]py...)
Show SMILES CCOP(=O)(N1Cc2nccnc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N4O5P/c1-3-26-27(24,13-6-4-12(25-2)5-7-13)21-11-15-14(18-8-9-19-15)10-16(21)17(22)20-23/h4-9,16,23H,3,10-11H2,1-2H3,(H,20,22)
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7n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50370191
PNG
(CHEMBL366478)
Show SMILES CCO[P@](=O)(N1Cc2ccccc2CC1C(=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-/m0/s1
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7.15n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109617
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccc(cc1)-c1ccccc1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C31H31N2O5P/c1-37-28-15-17-29(18-16-28)39(36,33-22-27-10-6-5-9-26(27)21-30(33)31(34)32-35)38-20-19-23-11-13-25(14-12-23)24-7-3-2-4-8-24/h2-18,30,35H,19-22H2,1H3,(H,32,34)
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7.33n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50109616
PNG
((7-Hydroxycarbamoyl-7,8-dihydro-5H-pyrido[3,4-b]py...)
Show SMILES CCOP(=O)(N1Cc2nccnc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N4O5P/c1-3-26-27(24,13-6-4-12(25-2)5-7-13)21-11-15-14(18-8-9-19-15)10-16(21)17(22)20-23/h4-9,16,23H,3,10-11H2,1-2H3,(H,20,22)
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7.80n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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7.89n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50109637
PNG
(4-[Ethoxy-(4-methoxy-phenyl)-phosphinoyl]-3-hydrox...)
Show SMILES CCOP(=O)(N1CCN(CC1C(=O)NO)C(=O)OCc1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H28N3O7P/c1-3-32-33(29,19-11-9-18(30-2)10-12-19)25-14-13-24(15-20(25)21(26)23-28)22(27)31-16-17-7-5-4-6-8-17/h4-12,20,28H,3,13-16H2,1-2H3,(H,23,26)
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7.99n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50109618
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C25H27N2O5P/c1-31-22-11-13-23(14-12-22)33(30,32-16-15-19-7-3-2-4-8-19)27-18-21-10-6-5-9-20(21)17-24(27)25(28)26-29/h2-14,24,29H,15-18H2,1H3,(H,26,28)
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8.15n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


Article DOI: 10.1021/jm0103211
BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
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