Found 7 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50096463' 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)) | BDBM50096463
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096463
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibitory activity against Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 235-8 (2001)
BindingDB Entry DOI: 10.7270/Q2TH8N78 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096463
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 2189-92 (2001)
BindingDB Entry DOI: 10.7270/Q2154HK0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096463
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-13 |
Bioorg Med Chem Lett 11: 239-42 (2001)
BindingDB Entry DOI: 10.7270/Q2PR7WHJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096463
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description In vitro inhibition of Matrix metalloprotease-13. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096463
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description In vitro inhibition of Matrix metalloprotease-13. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Collagenase 3
(Homo sapiens (Human)) | BDBM50096463
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description In vitro inhibition of Matrix metalloprotease-13. |
Bioorg Med Chem Lett 11: 2975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2125T64 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |