Found 248 hits with Last Name = 'williams' and Initial = 'le' 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 KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 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 | |
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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 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 | |
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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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) |
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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 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 | |
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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 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 | |
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
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 | 0.200 | 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 | |
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 | |
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 | |
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 | |
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 | |
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)) | 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 | |
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 | |
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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50082545
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/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 | 0.700 | 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-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)) | 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 | 0.700 | 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-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)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | 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-3. |
J Med Chem 42: 4547-62 (1999)
BindingDB Entry DOI: 10.7270/Q2D79C32 |
More data for this Ligand-Target Pair | |
Neutrophil 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 | 0.700 | 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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082541
((S)-4-(4-Bromo-benzenesulfonyl)-2,2-dimethyl-[1,4]...)Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C14H19BrN2O4S2/c1-14(2)12(13(18)16-19)17(8-3-9-22-14)23(20,21)11-6-4-10(15)5-7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H,16,18)/t12-/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 | 0.700 | 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)) | BDBM50098924
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/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 | 0.700 | 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 | |
Collagenase 3
(Rattus norvegicus) | BDBM50098924
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.75 | 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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082545
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/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 | 0.800 | 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
(Rattus norvegicus) | 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
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.840 | 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 | |
Matrix metalloproteinase-9
(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 | 0.900 | 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 | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50082545
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/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 | 0.900 | 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 | |
Collagenase 3
(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
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 | 1 | 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)) | BDBM50082550
((S)-4-(4-Methoxy-benzenesulfonyl)-6-methoxymethoxy...)Show SMILES COCOC1CSC(C)(C)[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C17H26N2O7S2/c1-17(2)15(16(20)18-21)19(9-13(10-27-17)26-11-24-3)28(22,23)14-7-5-12(25-4)6-8-14/h5-8,13,15,21H,9-11H2,1-4H3,(H,18,20)/t13?,15-/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 | 1 | 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 | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082534
((S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sul...)Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C17H21N3O4S3/c1-17(2)15(16(21)19-22)20(10-5-11-25-17)27(23,24)14-8-7-13(26-14)12-6-3-4-9-18-12/h3-4,6-9,15,22H,5,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 1 | 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)) | BDBM50082557
(4-(4-Methoxy-benzenesulfonyl)-morpholine-3-carboxy...)Show InChI InChI=1S/C12H16N2O6S/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15) | 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 | 1 | 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 | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50082555
(4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...)Show InChI InChI=1S/C12H16N2O5S2/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15) | 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 | 1 | 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 | |
Matrix metalloproteinase-9
(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 | 1 | 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 | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50082534
((S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sul...)Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C17H21N3O4S3/c1-17(2)15(16(21)19-22)20(10-5-11-25-17)27(23,24)14-8-7-13(26-14)12-6-3-4-9-18-12/h3-4,6-9,15,22H,5,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 1 | 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 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)) | BDBM50098918
((R)-1-Benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-h...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(Cc2ccccc2)C(=O)C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | 1 | 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50082550
((S)-4-(4-Methoxy-benzenesulfonyl)-6-methoxymethoxy...)Show SMILES COCOC1CSC(C)(C)[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C17H26N2O7S2/c1-17(2)15(16(20)18-21)19(9-13(10-27-17)26-11-24-3)28(22,23)14-7-5-12(25-4)6-8-14/h5-8,13,15,21H,9-11H2,1-4H3,(H,18,20)/t13?,15-/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 | 1 | 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-3. |
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)) | 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
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 | 1 | 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)) | BDBM50082547
((S)-4-(4-Butoxy-benzenesulfonyl)-2,2-dimethyl-[1,4...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C18H28N2O5S2/c1-4-5-12-25-14-7-9-15(10-8-14)27(23,24)20-11-6-13-26-18(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1 | 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 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)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | 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)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.10 | 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 | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50082534
((S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sul...)Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C17H21N3O4S3/c1-17(2)15(16(21)19-22)20(10-5-11-25-17)27(23,24)14-8-7-13(26-14)12-6-3-4-9-18-12/h3-4,6-9,15,22H,5,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 1.10 | 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-3. |
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)) | BDBM50098923
((3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octah...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2CCCN2C(=O)C[C@@H]1C(=O)NO Show InChI InChI=1S/C16H21N3O6S/c1-25-12-4-6-13(7-5-12)26(23,24)19-10-11-3-2-8-18(11)15(20)9-14(19)16(21)17-22/h4-7,11,14,22H,2-3,8-10H2,1H3,(H,17,21)/t11-,14+/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 | 1.20 | 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 |
Bioorg Med Chem Lett 11: 1009-13 (2001)
BindingDB Entry DOI: 10.7270/Q2X34Z04 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082552
((S)-4-(4-Bromo-benzenesulfonyl)-2,2-dimethyl-1,1-d...)Show SMILES CC1(C)[C@@H](N(CCCS1(=O)=O)S(=O)(=O)c1ccc(Br)cc1)C(=O)NO Show InChI InChI=1S/C14H19BrN2O6S2/c1-14(2)12(13(18)16-19)17(8-3-9-24(14,20)21)25(22,23)11-6-4-10(15)5-7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H,16,18)/t12-/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 | 1.20 | 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)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.20 | 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 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)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.30 | 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 |
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)) | BDBM50082540
((3S,6R)-6-Hydroxy-4-(4-methoxy-benzenesulfonyl)-2,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)CS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O8S2/c1-15(2)13(14(19)16-20)17(8-10(18)9-26(15,21)22)27(23,24)12-6-4-11(25-3)5-7-12/h4-7,10,13,18,20H,8-9H2,1-3H3,(H,16,19)/t10-,13+/m1/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 | 1.30 | 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)) | BDBM50082565
((S)-4-(4'-Fluoro-biphenyl-4-sulfonyl)-2,2-dimethyl...)Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H23FN2O4S2/c1-20(2)18(19(24)22-25)23(12-3-13-28-20)29(26,27)17-10-6-15(7-11-17)14-4-8-16(21)9-5-14/h4-11,18,25H,3,12-13H2,1-2H3,(H,22,24)/t18-/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 | 1.30 | 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 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 | |