Found 34 hits of Enzyme Inhibition Constant Data 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 |
|---|
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100090
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100090
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28) | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100092
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100090
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100092
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100091
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100092
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50100090
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28) | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100091
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100091
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50100091
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100088
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1 Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28) | 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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50100092
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27) | 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 | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100088
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1 Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28) | 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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50100088
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1 Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28) | 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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100088
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1 Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28) | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100086
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100086
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50100086
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50100086
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100086
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50100091
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50100090
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28) | 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 | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50100088
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1 Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28) | 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 | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50100092
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
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