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Compile Data Set for Download or QSAR

Found 291 hits with Last Name = 'moriyama' and Initial = 'h'   
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-9


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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PubMed
0.0600n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-9


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50143729
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1
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0.0970n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50143729
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme (TACE)


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10DK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50141575
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CO[C@H]1[C@H](O)[C@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1
Show InChI InChI=1S/C17H22N2O8S/c1-3-4-9-27-11-5-7-12(8-6-11)28(24,25)19-10-13(20)15(21)16(26-2)14(19)17(22)18-23/h5-8,13-16,20-21,23H,9-10H2,1-2H3,(H,18,22)/t13-,14-,15-,16-/m1/s1
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0.430n/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 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141577
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141577
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human tumor necrosis factor alpha converting enzyme


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141576
PNG
((3aR,6R,7R,7aS)-5-(4-But-2-ynyloxy-benzenesulfonyl...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@H]2OC(C)(C)O[C@H]2[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H24N2O8S/c1-4-5-10-27-12-6-8-13(9-7-12)30(25,26)21-11-14-17(29-19(2,3)28-14)16(22)15(21)18(23)20-24/h6-9,14-17,22,24H,10-11H2,1-3H3,(H,20,23)/t14-,15-,16-,17-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141574
PNG
((3aR,6R,7R,7aR)-5-(4-But-2-ynyloxy-benzenesulfonyl...)
Show SMILES CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1
Show InChI InChI=1S/C20H26N2O8S/c1-5-6-11-28-13-7-9-14(10-8-13)31(25,26)22-12-15-17(30-20(2,3)29-15)18(27-4)16(22)19(23)21-24/h7-10,15-18,24H,11-12H2,1-4H3,(H,21,23)/t15-,16-,17-,18-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131382
PNG
((2R,3R,4R,5S)-1-(4-Cyclohexyloxy-benzenesulfonyl)-...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OC2CCCCC2)cc1
Show InChI InChI=1S/C18H26N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h6-9,11,14-17,21-23,25H,1-5,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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0.930n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-9


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of Recombinant human matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 2741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10DK
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131381
PNG
((2R,3R,4R,5S)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16+,17+,18+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme (TACE)


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131386
PNG
((2R,3S,4R,5S)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10+,11+,12-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human tumor necrosis factor alpha converting enzyme


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131382
PNG
((2R,3R,4R,5S)-1-(4-Cyclohexyloxy-benzenesulfonyl)-...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OC2CCCCC2)cc1
Show InChI InChI=1S/C18H26N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h6-9,11,14-17,21-23,25H,1-5,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141575
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CO[C@H]1[C@H](O)[C@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1
Show InChI InChI=1S/C17H22N2O8S/c1-3-4-9-27-11-5-7-12(8-6-11)28(24,25)19-10-13(20)15(21)16(26-2)14(19)17(22)18-23/h5-8,13-16,20-21,23H,9-10H2,1-2H3,(H,18,22)/t13-,14-,15-,16-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50141578
PNG
((3aR,4R,7R,7aR)-5-(4-But-2-ynyloxy-benzenesulfonyl...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@H]2OC(C)(C)O[C@@H]2[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H24N2O8S/c1-4-5-10-27-12-6-8-13(9-7-12)30(25,26)21-11-14(22)16-17(15(21)18(23)20-24)29-19(2,3)28-16/h6-9,14-17,22,24H,10-11H2,1-3H3,(H,20,23)/t14-,15-,16-,17-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50143731
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10-,11-,12-/m1/s1
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2n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50143731
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10-,11-,12-/m1/s1
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2n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human tumor necrosis factor alpha converting enzyme


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131381
PNG
((2R,3R,4R,5S)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16+,17+,18+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50141577
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/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 recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50141577
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131390
PNG
((1S,2S,6R,7aS)-7-Hydroxy-5-(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2OC(C)(C)O[C@H]2[C@@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H22N2O8S/c1-16(2)25-11-8-18(12(15(20)17-21)13(19)14(11)26-16)27(22,23)10-6-4-9(24-3)5-7-10/h4-7,11-14,19,21H,8H2,1-3H3,(H,17,20)/t11-,12+,13-,14+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10DK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131383
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10+,11+,12+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-9


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50143729
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 1


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131381
PNG
((2R,3R,4R,5S)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16+,17+,18+/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-9


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50143729
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human tumor necrosis factor alpha converting enzyme


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131383
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10+,11+,12+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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8n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 1


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50131385
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
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8n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131388
PNG
((2R,3R,4R,5S)-1-[4-(2-Ethoxy-ethoxy)-benzenesulfon...)
Show SMILES CCOCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H24N2O9S/c1-2-26-7-8-27-10-3-5-11(6-4-10)28(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h3-6,12-15,19-21,23H,2,7-9H2,1H3,(H,17,22)/t12-,13+,14+,15+/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme (TACE)


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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11n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-9


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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11n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-9 (gelatinase B)


Bioorg Med Chem Lett 13: 2741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10DK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50141575
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CO[C@H]1[C@H](O)[C@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1
Show InChI InChI=1S/C17H22N2O8S/c1-3-4-9-27-11-5-7-12(8-6-11)28(24,25)19-10-13(20)15(21)16(26-2)14(19)17(22)18-23/h5-8,13-16,20-21,23H,9-10H2,1-2H3,(H,18,22)/t13-,14-,15-,16-/m1/s1
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12n/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 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50141574
PNG
((3aR,6R,7R,7aR)-5-(4-But-2-ynyloxy-benzenesulfonyl...)
Show SMILES CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1
Show InChI InChI=1S/C20H26N2O8S/c1-5-6-11-28-13-7-9-14(10-8-13)31(25,26)22-12-15-17(30-20(2,3)29-15)18(27-4)16(22)19(23)21-24/h7-10,15-18,24H,11-12H2,1-4H3,(H,21,23)/t15-,16-,17-,18-/m1/s1
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12n/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 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131383
PNG
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10+,11+,12+/m0/s1
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12n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNF-alpha converting enzyme (TACE)


Bioorg Med Chem Lett 13: 2737-40 (2003)


BindingDB Entry DOI: 10.7270/Q2PC31SG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50141577
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1
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14n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50141577
PNG
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1
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14n/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 14: 1569-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.091
BindingDB Entry DOI: 10.7270/Q2KS6QZB
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50143731
PNG
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10-,11-,12-/m1/s1
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15n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human tumor necrosis factor alpha converting enzyme


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131386
PNG
((2R,3S,4R,5S)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10+,11+,12-/m0/s1
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17n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human matrix metalloproteinase-3


Bioorg Med Chem Lett 13: 2741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10DK
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131391
PNG
(Acetic acid (1S,2R,6R,7aS)-6-hydroxycarbamoyl-5-(4...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2OC(C)(C)O[C@H]2[C@@H](OC(C)=O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H24N2O9S/c1-10(21)27-16-14(17(22)19-23)20(9-13-15(16)29-18(2,3)28-13)30(24,25)12-7-5-11(26-4)6-8-12/h5-8,13-16,23H,9H2,1-4H3,(H,19,22)/t13-,14+,15+,16-/m0/s1
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21n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 2741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JQ10DK
More data for this
Ligand-Target Pair
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