Found 1227 hits with Last Name = 'mieling' and Initial = 'ge' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Collagenase 3
(Homo sapiens (Human)) | BDBM50082556
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| PubMed
| 0.0380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of collagenase (Matrix metalloprotease-13) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50082556
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | PDB
MMDB
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| 0.0830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase-A (Matrix metalloprotease-2) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50082556
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | PDB
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| Article
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease 9 |
J Med Chem 42: 87-94 (1999)
Article DOI: 10.1021/jm980142s
BindingDB Entry DOI: 10.7270/Q2FF3T1N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| Article
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of truncated gelatinase B (Matrix metalloprotease-9) |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082556
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | PDB
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of collagenase-1 (Matrix metalloprotease-1) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase-A (Matrix metalloprotease-2) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| Article
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease 2 |
J Med Chem 42: 87-94 (1999)
Article DOI: 10.1021/jm980142s
BindingDB Entry DOI: 10.7270/Q2FF3T1N |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| PDB
Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease 1 |
J Med Chem 42: 87-94 (1999)
Article DOI: 10.1021/jm980142s
BindingDB Entry DOI: 10.7270/Q2FF3T1N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| PDB
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of collagenase-1 (Matrix metalloprotease-1) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| PDB
Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of truncated collagenase-1 (Matrix metalloprotease-1) |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| Article
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-3 |
J Med Chem 42: 87-94 (1999)
Article DOI: 10.1021/jm980142s
BindingDB Entry DOI: 10.7270/Q2FF3T1N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB
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| Article
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of truncated stromelysin (Matrix metalloprotease-3) |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50082556
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | PDB
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of matrilysin (Matrix metalloprotease-7) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50035622
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | PDB
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| n/a | n/a | >0.00100 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro binding of the compound at TP human prostaglandin receptor using [3H]-SQ-29,548 as radioligand |
J Med Chem 44: 4157-69 (2001)
BindingDB Entry DOI: 10.7270/Q2HT2NNP |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50082542
((S)-7-(4-Methoxy-benzenesulfonyl)-5,5-dimethyl-[1,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H24N2O6S2/c1-16(2)14(15(19)17-20)18(8-9-24-10-11-25-16)26(21,22)13-6-4-12(23-3)5-7-13/h4-7,14,20H,8-11H2,1-3H3,(H,17,19)/t14-/m0/s1 | PDB
MMDB
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Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50095584
(4-(2-Benzyloxy-3-phenyl-propionylamino)-1-(4-metho...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](Cc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C28H31N3O7S/c1-37-23-12-14-24(15-13-23)39(35,36)31-18-22(17-25(31)27(32)30-34)29-28(33)26(16-20-8-4-2-5-9-20)38-19-21-10-6-3-7-11-21/h2-15,22,25-26,34H,16-19H2,1H3,(H,29,33)(H,30,32)/t22-,25+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095576
(1-(4-Butoxy-benzenesulfonyl)-4-(2,5-dioxo-3-propyl...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CCC)c1=O Show InChI InChI=1S/C21H30N4O7S/c1-3-5-11-32-16-6-8-17(9-7-16)33(30,31)24-13-15(12-18(24)20(27)22-29)25-19(26)14-23(10-4-2)21(25)28/h6-9,14-15,18,26,29H,3-5,10-13H2,1-2H3,(H,22,27)/t15-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50095581
(4-(2-Benzyloxy-propionylamino)-1-(4-methoxy-benzen...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](C)OCc1ccccc1 Show InChI InChI=1S/C22H27N3O7S/c1-15(32-14-16-6-4-3-5-7-16)21(26)23-17-12-20(22(27)24-28)25(13-17)33(29,30)19-10-8-18(31-2)9-11-19/h3-11,15,17,20,28H,12-14H2,1-2H3,(H,23,26)(H,24,27)/t15-,17-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095538
(1-(4-Butoxy-benzenesulfonyl)-4-(3-methyl-2,5-dioxo...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C19H26N4O7S/c1-3-4-9-30-14-5-7-15(8-6-14)31(28,29)22-11-13(10-16(22)18(25)20-27)23-17(24)12-21(2)19(23)26/h5-8,12-13,16,24,27H,3-4,9-11H2,1-2H3,(H,20,25)/t13-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095573
(4-(3-Methyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-prop...)Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C18H24N4O7S/c1-3-8-29-13-4-6-14(7-5-13)30(27,28)21-10-12(9-15(21)17(24)19-26)22-16(23)11-20(2)18(22)25/h4-7,11-12,15,23,26H,3,8-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Rattus norvegicus) | BDBM50098915
((R)-1-tert-Butyl-3-(4-methoxy-benzenesulfonyl)-6-o...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C(=O)C[C@@H]1C(=O)NO)C(C)(C)C Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)18-10-19(13(9-14(18)20)15(21)17-22)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,13,22H,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 1009-13 (2001)
BindingDB Entry DOI: 10.7270/Q2X34Z04 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50082553
((S)-4-(4-butoxy-benzenesulfonyl)-2,2-dimethyl-1,1-...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C18H28N2O7S2/c1-4-5-12-27-14-7-9-15(10-8-14)29(25,26)20-11-6-13-28(23,24)18(2,3)16(20)17(21)19-22/h7-10,16,22H,4-6,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082537
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-thi...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50102479
(4-[Carboxy-(4'-methylsulfanyl-biphenyl-4-sulfonyla...)Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(SC)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O7S2/c1-32-15-16-33-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(34-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloprotease-2 |
J Med Chem 44: 2499-502 (2001)
BindingDB Entry DOI: 10.7270/Q2Z89D47 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM30359
(BOC-piperidinyl glycine derivative, 34)Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C25H32N2O7S/c1-25(2,3)34-24(30)27-15-13-19(14-16-27)22(23(28)29)26-35(31,32)21-11-7-18(8-12-21)17-5-9-20(33-4)10-6-17/h5-12,19,22,26H,13-16H2,1-4H3,(H,28,29)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloprotease-13 |
J Med Chem 44: 2499-502 (2001)
BindingDB Entry DOI: 10.7270/Q2Z89D47 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50102477
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloprotease-13 |
J Med Chem 44: 2499-502 (2001)
BindingDB Entry DOI: 10.7270/Q2Z89D47 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095558
(4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-propo...)Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O Show InChI InChI=1S/C20H26N4O7S/c1-3-9-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)32(29,30)16-7-5-15(6-8-16)31-10-4-2/h3,5-8,13-14,17,25,28H,1,4,9-12H2,2H3,(H,21,26)/t14-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095560
(4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-butox...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O Show InChI InChI=1S/C21H28N4O7S/c1-3-5-11-32-16-6-8-17(9-7-16)33(30,31)24-13-15(12-18(24)20(27)22-29)25-19(26)14-23(10-4-2)21(25)28/h4,6-9,14-15,18,26,29H,2-3,5,10-13H2,1H3,(H,22,27)/t15-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095554
(4-(1,1-Dioxo-1lambda*6*-isothiazolidin-2-yl)-1-(4-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCS1(=O)=O Show InChI InChI=1S/C15H21N3O7S2/c1-25-12-3-5-13(6-4-12)27(23,24)18-10-11(9-14(18)15(19)16-20)17-7-2-8-26(17,21)22/h3-6,11,14,20H,2,7-10H2,1H3,(H,16,19)/t11-,14+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095546
(4-Piperidin-1-yl-1-(4-propoxy-benzenesulfonyl)-pyr...)Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1 Show InChI InChI=1S/C19H29N3O5S/c1-2-12-27-16-6-8-17(9-7-16)28(25,26)22-14-15(13-18(22)19(23)20-24)21-10-4-3-5-11-21/h6-9,15,18,24H,2-5,10-14H2,1H3,(H,20,23)/t15-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50095576
(1-(4-Butoxy-benzenesulfonyl)-4-(2,5-dioxo-3-propyl...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CCC)c1=O Show InChI InChI=1S/C21H30N4O7S/c1-3-5-11-32-16-6-8-17(9-7-16)33(30,31)24-13-15(12-18(24)20(27)22-29)25-19(26)14-23(10-4-2)21(25)28/h6-9,14-15,18,26,29H,3-5,10-13H2,1-2H3,(H,22,27)/t15-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095540
(4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...)Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1 Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50102468
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O Show InChI InChI=1S/C25H32N2O7S/c1-25(2,3)34-24(30)27-15-13-19(14-16-27)22(23(28)29)26-35(31,32)21-11-7-18(8-12-21)17-5-9-20(33-4)10-6-17/h5-12,19,22,26H,13-16H2,1-4H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloprotease-2 |
J Med Chem 44: 2499-502 (2001)
BindingDB Entry DOI: 10.7270/Q2Z89D47 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50102477
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against matrix metalloprotease-8 |
J Med Chem 44: 2499-502 (2001)
BindingDB Entry DOI: 10.7270/Q2Z89D47 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095579
(1-(4-Methoxy-benzenesulfonyl)-4-(3-methyl-2,5-diox...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O Show InChI InChI=1S/C16H20N4O7S/c1-18-9-14(21)20(16(18)23)10-7-13(15(22)17-24)19(8-10)28(25,26)12-5-3-11(27-2)4-6-12/h3-6,9-10,13,21,24H,7-8H2,1-2H3,(H,17,22)/t10-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50082564
((R)-1-(4-Methoxy-benzenesulfonyl)-3,3-dimethyl-aze...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H24N2O5S/c1-16(2)10-4-5-11-18(14(16)15(19)17-20)24(21,22)13-8-6-12(23-3)7-9-13/h6-9,14,20H,4-5,10-11H2,1-3H3,(H,17,19)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase-B (Matrix metalloprotease-9) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082543
((S)-4-(4-Bromo-2-methyl-benzenesulfonyl)-2,2-dimet...)Show SMILES Cc1cc(Br)ccc1S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H21BrN2O4S2/c1-10-9-11(16)5-6-12(10)24(21,22)18-7-4-8-23-15(2,3)13(18)14(19)17-20/h5-6,9,13,20H,4,7-8H2,1-3H3,(H,17,19)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50082539
(1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxy...)Show InChI InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13). |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50098913
((R)-1,4-Bis-(4-methoxy-benzenesulfonyl)-[1,4]diaze...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC[C@@H](N(CC1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H25N3O8S2/c1-30-15-3-7-17(8-4-15)32(26,27)22-12-11-19(20(24)21-25)23(14-13-22)33(28,29)18-9-5-16(31-2)6-10-18/h3-10,19,25H,11-14H2,1-2H3,(H,21,24)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1009-13 (2001)
BindingDB Entry DOI: 10.7270/Q2X34Z04 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50098913
((R)-1,4-Bis-(4-methoxy-benzenesulfonyl)-[1,4]diaze...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC[C@@H](N(CC1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H25N3O8S2/c1-30-15-3-7-17(8-4-15)32(26,27)22-12-11-19(20(24)21-25)23(14-13-22)33(28,29)18-9-5-16(31-2)6-10-18/h3-10,19,25H,11-14H2,1-2H3,(H,21,24)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1009-13 (2001)
BindingDB Entry DOI: 10.7270/Q2X34Z04 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095580
(4-(Methanesulfonyl-methyl-amino)-1-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(C)S(C)(=O)=O Show InChI InChI=1S/C14H21N3O7S2/c1-16(25(3,20)21)10-8-13(14(18)15-19)17(9-10)26(22,23)12-6-4-11(24-2)5-7-12/h4-7,10,13,19H,8-9H2,1-3H3,(H,15,18)/t10-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50084743
(4-Methanesulfonyl-1-(4-methoxy-benzenesulfonyl)-pi...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C13H19N3O7S2/c1-23-10-3-5-11(6-4-10)25(21,22)16-8-7-15(24(2,19)20)9-12(16)13(17)14-18/h3-6,12,18H,7-9H2,1-2H3,(H,14,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9) |
J Med Chem 43: 369-80 (2000)
BindingDB Entry DOI: 10.7270/Q2J965M3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50102478
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloprotease-2 |
J Med Chem 44: 2499-502 (2001)
BindingDB Entry DOI: 10.7270/Q2Z89D47 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50082548
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C17H26N2O5S2/c1-17(2)15(16(20)18-21)19(11-5-4-6-12-25-17)26(22,23)14-9-7-13(24-3)8-10-14/h7-10,15,21H,4-6,11-12H2,1-3H3,(H,18,20)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of neutrophil collagenase (Matrix metalloprotease-8) |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50095541
(1-(4-Butoxy-benzenesulfonyl)-4-morpholin-4-yl-pyrr...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1 Show InChI InChI=1S/C19H29N3O6S/c1-2-3-10-28-16-4-6-17(7-5-16)29(25,26)22-14-15(13-18(22)19(23)20-24)21-8-11-27-12-9-21/h4-7,15,18,24H,2-3,8-14H2,1H3,(H,20,23)/t15-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-13 (collagenase-3) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50095540
(4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...)Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1 Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A) |
J Med Chem 43: 4948-63 (2001)
BindingDB Entry DOI: 10.7270/Q21N80DW |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50084758
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...)Show SMILES CCOCCCOC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O8S/c1-3-28-11-4-12-29-18(23)20-9-10-21(16(13-20)17(22)19-24)30(25,26)15-7-5-14(27-2)6-8-15/h5-8,16,24H,3-4,9-13H2,1-2H3,(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9) |
J Med Chem 43: 369-80 (2000)
BindingDB Entry DOI: 10.7270/Q2J965M3 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50098921
((R)-1-Benzyl-4-(4-methoxy-benzenesulfonyl)-7-oxo-[...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)C(=O)C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H23N3O6S/c1-29-16-7-9-17(10-8-16)30(27,28)23-12-11-22(14-15-5-3-2-4-6-15)19(24)13-18(23)20(25)21-26/h2-10,18,26H,11-14H2,1H3,(H,21,25)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1009-13 (2001)
BindingDB Entry DOI: 10.7270/Q2X34Z04 |
More data for this
Ligand-Target Pair | |
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