Found 45 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)) | BDBM50104006
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/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 |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104006
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/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 |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104012
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,20-/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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104008
(3-Benzylsulfanylmethyl-1-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O5S2/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104008
(3-Benzylsulfanylmethyl-1-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O5S2/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104012
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,20-/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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104006
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104007
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-phene...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C23H30N2O5S2/c1-23(2)16-25(32(28,29)19-11-9-18(30-3)10-12-19)21(22(26)24-27)20(23)15-31-14-13-17-7-5-4-6-8-17/h4-12,20-21,27H,13-16H2,1-3H3,(H,24,26)/t20?,21-/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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104012
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,20-/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104013
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104012
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,20-/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 | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-13 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104010
(1-(4-Methoxy-benzenesulfonyl)-3-(4-methoxy-benzyls...)Show SMILES COc1ccc(CSCC2[C@@H](N(CC2(C)C)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C23H30N2O6S2/c1-23(2)15-25(33(28,29)19-11-9-18(31-4)10-12-19)21(22(26)24-27)20(23)14-32-13-16-5-7-17(30-3)8-6-16/h5-12,20-21,27H,13-15H2,1-4H3,(H,24,26)/t20?,21-/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 | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104010
(1-(4-Methoxy-benzenesulfonyl)-3-(4-methoxy-benzyls...)Show SMILES COc1ccc(CSCC2[C@@H](N(CC2(C)C)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C23H30N2O6S2/c1-23(2)15-25(33(28,29)19-11-9-18(31-4)10-12-19)21(22(26)24-27)20(23)14-32-13-16-5-7-17(30-3)8-6-16/h5-12,20-21,27H,13-15H2,1-4H3,(H,24,26)/t20?,21-/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 | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104008
(3-Benzylsulfanylmethyl-1-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O5S2/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-13 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104007
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-phene...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C23H30N2O5S2/c1-23(2)16-25(32(28,29)19-11-9-18(30-3)10-12-19)21(22(26)24-27)20(23)15-31-14-13-17-7-5-4-6-8-17/h4-12,20-21,27H,13-16H2,1-3H3,(H,24,26)/t20?,21-/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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104008
(3-Benzylsulfanylmethyl-1-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O5S2/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104009
(3-Benzyloxymethyl-1-(4-methoxy-benzenesulfonyl)-4,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(COCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104009
(3-Benzyloxymethyl-1-(4-methoxy-benzenesulfonyl)-4,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(COCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104006
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-13 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104007
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-phene...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C23H30N2O5S2/c1-23(2)16-25(32(28,29)19-11-9-18(30-3)10-12-19)21(22(26)24-27)20(23)15-31-14-13-17-7-5-4-6-8-17/h4-12,20-21,27H,13-16H2,1-3H3,(H,24,26)/t20?,21-/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104013
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104010
(1-(4-Methoxy-benzenesulfonyl)-3-(4-methoxy-benzyls...)Show SMILES COc1ccc(CSCC2[C@@H](N(CC2(C)C)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C23H30N2O6S2/c1-23(2)15-25(33(28,29)19-11-9-18(31-4)10-12-19)21(22(26)24-27)20(23)14-32-13-16-5-7-17(30-3)8-6-16/h5-12,20-21,27H,13-15H2,1-4H3,(H,24,26)/t20?,21-/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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104007
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-phene...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C23H30N2O5S2/c1-23(2)16-25(32(28,29)19-11-9-18(30-3)10-12-19)21(22(26)24-27)20(23)15-31-14-13-17-7-5-4-6-8-17/h4-12,20-21,27H,13-16H2,1-3H3,(H,24,26)/t20?,21-/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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-13 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104013
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,20+/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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-13 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104013
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104010
(1-(4-Methoxy-benzenesulfonyl)-3-(4-methoxy-benzyls...)Show SMILES COc1ccc(CSCC2[C@@H](N(CC2(C)C)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C23H30N2O6S2/c1-23(2)15-25(33(28,29)19-11-9-18(31-4)10-12-19)21(22(26)24-27)20(23)14-32-13-16-5-7-17(30-3)8-6-16/h5-12,20-21,27H,13-15H2,1-4H3,(H,24,26)/t20?,21-/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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-13 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104009
(3-Benzyloxymethyl-1-(4-methoxy-benzenesulfonyl)-4,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(COCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104009
(3-Benzyloxymethyl-1-(4-methoxy-benzenesulfonyl)-4,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(COCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-13 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104011
(3-Hydroxymethyl-1-(4-methoxy-benzenesulfonyl)-4,4-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CO)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O6S/c1-15(2)9-17(13(12(15)8-18)14(19)16-20)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,12-13,18,20H,8-9H2,1-3H3,(H,16,19)/t12?,13-/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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104006
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104012
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,20-/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 | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104011
(3-Hydroxymethyl-1-(4-methoxy-benzenesulfonyl)-4,4-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CO)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O6S/c1-15(2)9-17(13(12(15)8-18)14(19)16-20)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,12-13,18,20H,8-9H2,1-3H3,(H,16,19)/t12?,13-/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 | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104005
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/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 | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104011
(3-Hydroxymethyl-1-(4-methoxy-benzenesulfonyl)-4,4-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CO)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O6S/c1-15(2)9-17(13(12(15)8-18)14(19)16-20)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,12-13,18,20H,8-9H2,1-3H3,(H,16,19)/t12?,13-/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 | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104008
(3-Benzylsulfanylmethyl-1-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O5S2/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104011
(3-Hydroxymethyl-1-(4-methoxy-benzenesulfonyl)-4,4-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CO)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O6S/c1-15(2)9-17(13(12(15)8-18)14(19)16-20)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,12-13,18,20H,8-9H2,1-3H3,(H,16,19)/t12?,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 | 218 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-13 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104005
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/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 | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-3 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104013
(3-(1-Hydroxy-2-phenylsulfanyl-ethyl)-1-(4-methoxy-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C([C@@H](O)CSc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S2/c1-22(2)14-24(32(28,29)17-11-9-15(30-3)10-12-17)20(21(26)23-27)19(22)18(25)13-31-16-7-5-4-6-8-16/h4-12,18-20,25,27H,13-14H2,1-3H3,(H,23,26)/t18-,19?,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 | 301 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104005
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/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 | 441 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104010
(1-(4-Methoxy-benzenesulfonyl)-3-(4-methoxy-benzyls...)Show SMILES COc1ccc(CSCC2[C@@H](N(CC2(C)C)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C23H30N2O6S2/c1-23(2)15-25(33(28,29)19-11-9-18(31-4)10-12-19)21(22(26)24-27)20(23)14-32-13-16-5-7-17(30-3)8-6-16/h5-12,20-21,27H,13-15H2,1-4H3,(H,24,26)/t20?,21-/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 | 458 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104005
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/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 | 519 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-13 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104007
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-phene...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CSCCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C23H30N2O5S2/c1-23(2)16-25(32(28,29)19-11-9-18(30-3)10-12-19)21(22(26)24-27)20(23)15-31-14-13-17-7-5-4-6-8-17/h4-12,20-21,27H,13-16H2,1-3H3,(H,24,26)/t20?,21-/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 | 654 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104009
(3-Benzyloxymethyl-1-(4-methoxy-benzenesulfonyl)-4,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(COCc2ccccc2)[C@@H]1C(=O)NO Show InChI InChI=1S/C22H28N2O6S/c1-22(2)15-24(31(27,28)18-11-9-17(29-3)10-12-18)20(21(25)23-26)19(22)14-30-13-16-7-5-4-6-8-16/h4-12,19-20,26H,13-15H2,1-3H3,(H,23,25)/t19?,20-/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 | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104011
(3-Hydroxymethyl-1-(4-methoxy-benzenesulfonyl)-4,4-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(CO)[C@@H]1C(=O)NO Show InChI InChI=1S/C15H22N2O6S/c1-15(2)9-17(13(12(15)8-18)14(19)16-20)24(21,22)11-6-4-10(23-3)5-7-11/h4-7,12-13,18,20H,8-9H2,1-3H3,(H,16,19)/t12?,13-/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 | 8.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104005
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/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 | 2.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description
Inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3074-82 (2001)
BindingDB Entry DOI: 10.7270/Q2416WBQ |
More data for this
Ligand-Target Pair | |
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