Found 104 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 |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104000
(4-Benzylsulfanyl-2-[[(cyclohexylmethyl-carbamoyl)-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C27H37N3O6S2/c1-36-23-12-14-24(15-13-23)38(34,35)30(19-26(31)28-18-21-8-4-2-5-9-21)25(27(32)29-33)16-17-37-20-22-10-6-3-7-11-22/h3,6-7,10-15,21,25,33H,2,4-5,8-9,16-20H2,1H3,(H,28,31)(H,29,32) | 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 | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104001
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(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) | 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 | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103996
(4-(4-Cyclohex-2-enyl-benzylsulfanyl)-N-hydroxy-2-[...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(cc1)C1CCCC=C1)C(=O)NO |c:33| Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h5,7,9-16,21,23,27,32H,4,6,8,17-20H2,1-3H3,(H,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103991
(4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cccnc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H30N4O6S2/c1-36-22-9-11-23(12-10-22)38(34,35)30(18-25(31)28-17-21-8-5-14-27-16-21)24(26(32)29-33)13-15-37-19-20-6-3-2-4-7-20/h2-12,14,16,24,33H,13,15,17-19H2,1H3,(H,28,31)(H,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103988
(4-Benzylsulfanyl-2-[{[(di-pyridin-2-yl-methyl)-car...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccn1)c1ccccn1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C31H33N5O6S2/c1-42-24-13-15-25(16-14-24)44(40,41)36(28(31(38)35-39)17-20-43-22-23-9-3-2-4-10-23)21-29(37)34-30(26-11-5-7-18-32-26)27-12-6-8-19-33-27/h2-16,18-19,28,30,39H,17,20-22H2,1H3,(H,34,37)(H,35,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103992
(2-[(Benzylcarbamoyl-methyl)-(4-methoxy-benzenesulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccccc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C27H31N3O6S2/c1-36-23-12-14-24(15-13-23)38(34,35)30(19-26(31)28-18-21-8-4-2-5-9-21)25(27(32)29-33)16-17-37-20-22-10-6-3-7-11-22/h2-15,25,33H,16-20H2,1H3,(H,28,31)(H,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103993
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(CNC(=O)CN(C(CCSCc2ccccc2)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H33N3O7S2/c1-37-23-10-8-21(9-11-23)18-29-27(32)19-31(40(35,36)25-14-12-24(38-2)13-15-25)26(28(33)30-34)16-17-39-20-22-6-4-3-5-7-22/h3-15,26,34H,16-20H2,1-2H3,(H,29,32)(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104002
(4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104000
(4-Benzylsulfanyl-2-[[(cyclohexylmethyl-carbamoyl)-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C27H37N3O6S2/c1-36-23-12-14-24(15-13-23)38(34,35)30(19-26(31)28-18-21-8-4-2-5-9-21)25(27(32)29-33)16-17-37-20-22-10-6-3-7-11-22/h3,6-7,10-15,21,25,33H,2,4-5,8-9,16-20H2,1H3,(H,28,31)(H,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103983
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1c(OC)cc(OC)cc1OC)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C30H37N3O9S2/c1-39-22-10-12-24(13-11-22)44(37,38)33(26(30(35)32-36)14-15-43-20-21-8-6-5-7-9-21)19-29(34)31-18-25-27(41-3)16-23(40-2)17-28(25)42-4/h5-13,16-17,26,36H,14-15,18-20H2,1-4H3,(H,31,34)(H,32,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103988
(4-Benzylsulfanyl-2-[{[(di-pyridin-2-yl-methyl)-car...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccn1)c1ccccn1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C31H33N5O6S2/c1-42-24-13-15-25(16-14-24)44(40,41)36(28(31(38)35-39)17-20-43-22-23-9-3-2-4-10-23)21-29(37)34-30(26-11-5-7-18-32-26)27-12-6-8-19-33-27/h2-16,18-19,28,30,39H,17,20-22H2,1H3,(H,34,37)(H,35,38) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103988
(4-Benzylsulfanyl-2-[{[(di-pyridin-2-yl-methyl)-car...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccn1)c1ccccn1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C31H33N5O6S2/c1-42-24-13-15-25(16-14-24)44(40,41)36(28(31(38)35-39)17-20-43-22-23-9-3-2-4-10-23)21-29(37)34-30(26-11-5-7-18-32-26)27-12-6-8-19-33-27/h2-16,18-19,28,30,39H,17,20-22H2,1H3,(H,34,37)(H,35,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103992
(2-[(Benzylcarbamoyl-methyl)-(4-methoxy-benzenesulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccccc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C27H31N3O6S2/c1-36-23-12-14-24(15-13-23)38(34,35)30(19-26(31)28-18-21-8-4-2-5-9-21)25(27(32)29-33)16-17-37-20-22-10-6-3-7-11-22/h2-15,25,33H,16-20H2,1H3,(H,28,31)(H,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103994
(2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C33H35N3O6S2/c1-42-28-17-19-29(20-18-28)44(40,41)36(30(33(38)35-39)21-22-43-24-25-11-5-2-6-12-25)23-31(37)34-32(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20,30,32,39H,21-24H2,1H3,(H,34,37)(H,35,38) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103989
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103986
(4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104001
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(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) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104001
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(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) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103993
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(CNC(=O)CN(C(CCSCc2ccccc2)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H33N3O7S2/c1-37-23-10-8-21(9-11-23)18-29-27(32)19-31(40(35,36)25-14-12-24(38-2)13-15-25)26(28(33)30-34)16-17-39-20-22-6-4-3-5-7-22/h3-15,26,34H,16-20H2,1-2H3,(H,29,32)(H,30,33) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103992
(2-[(Benzylcarbamoyl-methyl)-(4-methoxy-benzenesulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccccc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C27H31N3O6S2/c1-36-23-12-14-24(15-13-23)38(34,35)30(19-26(31)28-18-21-8-4-2-5-9-21)25(27(32)29-33)16-17-37-20-22-10-6-3-7-11-22/h2-15,25,33H,16-20H2,1H3,(H,28,31)(H,29,32) | 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 In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103993
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(CNC(=O)CN(C(CCSCc2ccccc2)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H33N3O7S2/c1-37-23-10-8-21(9-11-23)18-29-27(32)19-31(40(35,36)25-14-12-24(38-2)13-15-25)26(28(33)30-34)16-17-39-20-22-6-4-3-5-7-22/h3-15,26,34H,16-20H2,1-2H3,(H,29,32)(H,30,33) | 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 In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104002
(4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31) | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103997
(CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25) | 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 In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103993
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(CNC(=O)CN(C(CCSCc2ccccc2)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H33N3O7S2/c1-37-23-10-8-21(9-11-23)18-29-27(32)19-31(40(35,36)25-14-12-24(38-2)13-15-25)26(28(33)30-34)16-17-39-20-22-6-4-3-5-7-22/h3-15,26,34H,16-20H2,1-2H3,(H,29,32)(H,30,33) | 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 In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103985
(CHEMBL320442 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccsc1)C(=O)NO Show InChI InChI=1S/C20H28N2O5S3/c1-15(2)12-22(30(25,26)18-6-4-17(27-3)5-7-18)19(20(23)21-24)9-11-29-14-16-8-10-28-13-16/h4-8,10,13,15,19,24H,9,11-12,14H2,1-3H3,(H,21,23) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104002
(4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103988
(4-Benzylsulfanyl-2-[{[(di-pyridin-2-yl-methyl)-car...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccn1)c1ccccn1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C31H33N5O6S2/c1-42-24-13-15-25(16-14-24)44(40,41)36(28(31(38)35-39)17-20-43-22-23-9-3-2-4-10-23)21-29(37)34-30(26-11-5-7-18-32-26)27-12-6-8-19-33-27/h2-16,18-19,28,30,39H,17,20-22H2,1H3,(H,34,37)(H,35,38) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103991
(4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cccnc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H30N4O6S2/c1-36-22-9-11-23(12-10-22)38(34,35)30(18-25(31)28-17-21-8-5-14-27-16-21)24(26(32)29-33)13-15-37-19-20-6-3-2-4-7-20/h2-12,14,16,24,33H,13,15,17-19H2,1H3,(H,28,31)(H,29,32) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103983
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1c(OC)cc(OC)cc1OC)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C30H37N3O9S2/c1-39-22-10-12-24(13-11-22)44(37,38)33(26(30(35)32-36)14-15-43-20-21-8-6-5-7-9-21)19-29(34)31-18-25-27(41-3)16-23(40-2)17-28(25)42-4/h5-13,16-17,26,36H,14-15,18-20H2,1-4H3,(H,31,34)(H,32,35) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103991
(4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cccnc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H30N4O6S2/c1-36-22-9-11-23(12-10-22)38(34,35)30(18-25(31)28-17-21-8-5-14-27-16-21)24(26(32)29-33)13-15-37-19-20-6-3-2-4-7-20/h2-12,14,16,24,33H,13,15,17-19H2,1H3,(H,28,31)(H,29,32) | 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 |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103989
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30) | 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 In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104002
(4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103986
(4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34) | 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 In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103992
(2-[(Benzylcarbamoyl-methyl)-(4-methoxy-benzenesulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccccc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C27H31N3O6S2/c1-36-23-12-14-24(15-13-23)38(34,35)30(19-26(31)28-18-21-8-4-2-5-9-21)25(27(32)29-33)16-17-37-20-22-10-6-3-7-11-22/h2-15,25,33H,16-20H2,1H3,(H,28,31)(H,29,32) | 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 In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103983
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1c(OC)cc(OC)cc1OC)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C30H37N3O9S2/c1-39-22-10-12-24(13-11-22)44(37,38)33(26(30(35)32-36)14-15-43-20-21-8-6-5-7-9-21)19-29(34)31-18-25-27(41-3)16-23(40-2)17-28(25)42-4/h5-13,16-17,26,36H,14-15,18-20H2,1-4H3,(H,31,34)(H,32,35) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104004
(4-Benzylsulfanyl-2-[[(dicyclohexylmethyl-carbamoyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(C1CCCCC1)C1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C33H47N3O6S2/c1-42-28-17-19-29(20-18-28)44(40,41)36(30(33(38)35-39)21-22-43-24-25-11-5-2-6-12-25)23-31(37)34-32(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2,5-6,11-12,17-20,26-27,30,32,39H,3-4,7-10,13-16,21-24H2,1H3,(H,34,37)(H,35,38) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103991
(4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cccnc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H30N4O6S2/c1-36-22-9-11-23(12-10-22)38(34,35)30(18-25(31)28-17-21-8-5-14-27-16-21)24(26(32)29-33)13-15-37-19-20-6-3-2-4-7-20/h2-12,14,16,24,33H,13,15,17-19H2,1H3,(H,28,31)(H,29,32) | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103994
(2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C33H35N3O6S2/c1-42-28-17-19-29(20-18-28)44(40,41)36(30(33(38)35-39)21-22-43-24-25-11-5-2-6-12-25)23-31(37)34-32(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20,30,32,39H,21-24H2,1H3,(H,34,37)(H,35,38) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103986
(4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103995
(4-Benzylsulfanyl-2-[(biphenyl-4-sulfonyl)-isobutyl...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H32N2O4S2/c1-21(2)19-29(26(27(30)28-31)17-18-34-20-22-9-5-3-6-10-22)35(32,33)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30) | 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 In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103983
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1c(OC)cc(OC)cc1OC)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C30H37N3O9S2/c1-39-22-10-12-24(13-11-22)44(37,38)33(26(30(35)32-36)14-15-43-20-21-8-6-5-7-9-21)19-29(34)31-18-25-27(41-3)16-23(40-2)17-28(25)42-4/h5-13,16-17,26,36H,14-15,18-20H2,1-4H3,(H,31,34)(H,32,35) | 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 In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103984
(CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25) | 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 In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103989
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30) | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103999
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26) | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103985
(CHEMBL320442 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccsc1)C(=O)NO Show InChI InChI=1S/C20H28N2O5S3/c1-15(2)12-22(30(25,26)18-6-4-17(27-3)5-7-18)19(20(23)21-24)9-11-29-14-16-8-10-28-13-16/h4-8,10,13,15,19,24H,9,11-12,14H2,1-3H3,(H,21,23) | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103994
(2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C33H35N3O6S2/c1-42-28-17-19-29(20-18-28)44(40,41)36(30(33(38)35-39)21-22-43-24-25-11-5-2-6-12-25)23-31(37)34-32(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20,30,32,39H,21-24H2,1H3,(H,34,37)(H,35,38) | 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 | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103995
(4-Benzylsulfanyl-2-[(biphenyl-4-sulfonyl)-isobutyl...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H32N2O4S2/c1-21(2)19-29(26(27(30)28-31)17-18-34-20-22-9-5-3-6-10-22)35(32,33)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30) | 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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103999
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26) | 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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103995
(4-Benzylsulfanyl-2-[(biphenyl-4-sulfonyl)-isobutyl...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H32N2O4S2/c1-21(2)19-29(26(27(30)28-31)17-18-34-20-22-9-5-3-6-10-22)35(32,33)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30) | 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 | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103989
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30) | 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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103997
(CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25) | 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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103990
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25) | 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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103994
(2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C33H35N3O6S2/c1-42-28-17-19-29(20-18-28)44(40,41)36(30(33(38)35-39)21-22-43-24-25-11-5-2-6-12-25)23-31(37)34-32(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20,30,32,39H,21-24H2,1H3,(H,34,37)(H,35,38) | 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 | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103986
(4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34) | 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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103992
(2-[(Benzylcarbamoyl-methyl)-(4-methoxy-benzenesulf...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccccc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C27H31N3O6S2/c1-36-23-12-14-24(15-13-23)38(34,35)30(19-26(31)28-18-21-8-4-2-5-9-21)25(27(32)29-33)16-17-37-20-22-10-6-3-7-11-22/h2-15,25,33H,16-20H2,1H3,(H,28,31)(H,29,32) | 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 | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103985
(CHEMBL320442 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccsc1)C(=O)NO Show InChI InChI=1S/C20H28N2O5S3/c1-15(2)12-22(30(25,26)18-6-4-17(27-3)5-7-18)19(20(23)21-24)9-11-29-14-16-8-10-28-13-16/h4-8,10,13,15,19,24H,9,11-12,14H2,1-3H3,(H,21,23) | 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 | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103999
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26) | 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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103985
(CHEMBL320442 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccsc1)C(=O)NO Show InChI InChI=1S/C20H28N2O5S3/c1-15(2)12-22(30(25,26)18-6-4-17(27-3)5-7-18)19(20(23)21-24)9-11-29-14-16-8-10-28-13-16/h4-8,10,13,15,19,24H,9,11-12,14H2,1-3H3,(H,21,23) | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103999
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26) | 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 | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103984
(CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25) | 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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103984
(CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25) | 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 | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104003
(CHEMBL105142 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show InChI InChI=1S/C15H24N2O5S/c1-5-14(15(18)16-19)17(10-11(2)3)23(20,21)13-8-6-12(22-4)7-9-13/h6-9,11,14,19H,5,10H2,1-4H3,(H,16,18) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103998
(4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobut...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C29H36N2O6S2/c1-22(2)19-31(39(34,35)27-15-13-25(36-3)14-16-27)28(29(32)30-33)17-18-38-21-24-9-11-26(12-10-24)37-20-23-7-5-4-6-8-23/h4-16,22,28,33H,17-21H2,1-3H3,(H,30,32) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104004
(4-Benzylsulfanyl-2-[[(dicyclohexylmethyl-carbamoyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(C1CCCCC1)C1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C33H47N3O6S2/c1-42-28-17-19-29(20-18-28)44(40,41)36(30(33(38)35-39)21-22-43-24-25-11-5-2-6-12-25)23-31(37)34-32(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2,5-6,11-12,17-20,26-27,30,32,39H,3-4,7-10,13-16,21-24H2,1H3,(H,34,37)(H,35,38) | 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 | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103997
(CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25) | 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 In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104001
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(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) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103997
(CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25) | 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 In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103990
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103990
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25) | 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 In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103982
(4-Benzylsulfanyl-N-hydroxy-2-[(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCOCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H31N3O7S2/c1-33-20-7-9-21(10-8-20)36(31,32)27(17-23(28)26-12-14-34-15-13-26)22(24(29)25-30)11-16-35-18-19-5-3-2-4-6-19/h2-10,22,30H,11-18H2,1H3,(H,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104002
(4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103990
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25) | 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 In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103984
(CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103993
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(CNC(=O)CN(C(CCSCc2ccccc2)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C28H33N3O7S2/c1-37-23-10-8-21(9-11-23)18-29-27(32)19-31(40(35,36)25-14-12-24(38-2)13-15-25)26(28(33)30-34)16-17-39-20-22-6-4-3-5-7-22/h3-15,26,34H,16-20H2,1-2H3,(H,29,32)(H,30,33) | 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 In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103991
(4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cccnc1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H30N4O6S2/c1-36-22-9-11-23(12-10-22)38(34,35)30(18-25(31)28-17-21-8-5-14-27-16-21)24(26(32)29-33)13-15-37-19-20-6-3-2-4-7-20/h2-12,14,16,24,33H,13,15,17-19H2,1H3,(H,28,31)(H,29,32) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103998
(4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobut...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C29H36N2O6S2/c1-22(2)19-31(39(34,35)27-15-13-25(36-3)14-16-27)28(29(32)30-33)17-18-38-21-24-9-11-26(12-10-24)37-20-23-7-5-4-6-8-23/h4-16,22,28,33H,17-21H2,1-3H3,(H,30,32) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103998
(4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobut...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C29H36N2O6S2/c1-22(2)19-31(39(34,35)27-15-13-25(36-3)14-16-27)28(29(32)30-33)17-18-38-21-24-9-11-26(12-10-24)37-20-23-7-5-4-6-8-23/h4-16,22,28,33H,17-21H2,1-3H3,(H,30,32) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103996
(4-(4-Cyclohex-2-enyl-benzylsulfanyl)-N-hydroxy-2-[...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(cc1)C1CCCC=C1)C(=O)NO |c:33| Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h5,7,9-16,21,23,27,32H,4,6,8,17-20H2,1-3H3,(H,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103982
(4-Benzylsulfanyl-N-hydroxy-2-[(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCOCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H31N3O7S2/c1-33-20-7-9-21(10-8-20)36(31,32)27(17-23(28)26-12-14-34-15-13-26)22(24(29)25-30)11-16-35-18-19-5-3-2-4-6-19/h2-10,22,30H,11-18H2,1H3,(H,25,29) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103998
(4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobut...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C29H36N2O6S2/c1-22(2)19-31(39(34,35)27-15-13-25(36-3)14-16-27)28(29(32)30-33)17-18-38-21-24-9-11-26(12-10-24)37-20-23-7-5-4-6-8-23/h4-16,22,28,33H,17-21H2,1-3H3,(H,30,32) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103982
(4-Benzylsulfanyl-N-hydroxy-2-[(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCOCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H31N3O7S2/c1-33-20-7-9-21(10-8-20)36(31,32)27(17-23(28)26-12-14-34-15-13-26)22(24(29)25-30)11-16-35-18-19-5-3-2-4-6-19/h2-10,22,30H,11-18H2,1H3,(H,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103996
(4-(4-Cyclohex-2-enyl-benzylsulfanyl)-N-hydroxy-2-[...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(cc1)C1CCCC=C1)C(=O)NO |c:33| Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h5,7,9-16,21,23,27,32H,4,6,8,17-20H2,1-3H3,(H,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103986
(4-Benzylsulfanyl-2-[[(3,5-dimethoxy-benzylcarbamoy...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cc(OC)cc(OC)c1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H35N3O8S2/c1-38-23-9-11-26(12-10-23)42(36,37)32(19-28(33)30-18-22-15-24(39-2)17-25(16-22)40-3)27(29(34)31-35)13-14-41-20-21-7-5-4-6-8-21/h4-12,15-17,27,35H,13-14,18-20H2,1-3H3,(H,30,33)(H,31,34) | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103988
(4-Benzylsulfanyl-2-[{[(di-pyridin-2-yl-methyl)-car...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccn1)c1ccccn1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C31H33N5O6S2/c1-42-24-13-15-25(16-14-24)44(40,41)36(28(31(38)35-39)17-20-43-22-23-9-3-2-4-10-23)21-29(37)34-30(26-11-5-7-18-32-26)27-12-6-8-19-33-27/h2-16,18-19,28,30,39H,17,20-22H2,1H3,(H,34,37)(H,35,38) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50104003
(CHEMBL105142 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show InChI InChI=1S/C15H24N2O5S/c1-5-14(15(18)16-19)17(10-11(2)3)23(20,21)13-8-6-12(22-4)7-9-13/h6-9,11,14,19H,5,10H2,1-4H3,(H,16,18) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103983
(4-Benzylsulfanyl-N-hydroxy-2-{(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1c(OC)cc(OC)cc1OC)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C30H37N3O9S2/c1-39-22-10-12-24(13-11-22)44(37,38)33(26(30(35)32-36)14-15-43-20-21-8-6-5-7-9-21)19-29(34)31-18-25-27(41-3)16-23(40-2)17-28(25)42-4/h5-13,16-17,26,36H,14-15,18-20H2,1-4H3,(H,31,34)(H,32,35) | 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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104003
(CHEMBL105142 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show InChI InChI=1S/C15H24N2O5S/c1-5-14(15(18)16-19)17(10-11(2)3)23(20,21)13-8-6-12(22-4)7-9-13/h6-9,11,14,19H,5,10H2,1-4H3,(H,16,18) | 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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103995
(4-Benzylsulfanyl-2-[(biphenyl-4-sulfonyl)-isobutyl...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H32N2O4S2/c1-21(2)19-29(26(27(30)28-31)17-18-34-20-22-9-5-3-6-10-22)35(32,33)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30) | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50104003
(CHEMBL105142 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show InChI InChI=1S/C15H24N2O5S/c1-5-14(15(18)16-19)17(10-11(2)3)23(20,21)13-8-6-12(22-4)7-9-13/h6-9,11,14,19H,5,10H2,1-4H3,(H,16,18) | 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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104001
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(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) | 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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103984
(CHEMBL105535 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccnc1)C(=O)NO Show InChI InChI=1S/C21H29N3O5S2/c1-16(2)14-24(31(27,28)19-8-6-18(29-3)7-9-19)20(21(25)23-26)10-12-30-15-17-5-4-11-22-13-17/h4-9,11,13,16,20,26H,10,12,14-15H2,1-3H3,(H,23,25) | 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 | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50103987
(CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30) | 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 | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-9 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103990
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25) | 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 | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103985
(CHEMBL320442 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccsc1)C(=O)NO Show InChI InChI=1S/C20H28N2O5S3/c1-15(2)12-22(30(25,26)18-6-4-17(27-3)5-7-18)19(20(23)21-24)9-11-29-14-16-8-10-28-13-16/h4-8,10,13,15,19,24H,9,11-12,14H2,1-3H3,(H,21,23) | 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 | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103982
(4-Benzylsulfanyl-N-hydroxy-2-[(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCOCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H31N3O7S2/c1-33-20-7-9-21(10-8-20)36(31,32)27(17-23(28)26-12-14-34-15-13-26)22(24(29)25-30)11-16-35-18-19-5-3-2-4-6-19/h2-10,22,30H,11-18H2,1H3,(H,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103999
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26) | 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 | 297 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104003
(CHEMBL105142 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show InChI InChI=1S/C15H24N2O5S/c1-5-14(15(18)16-19)17(10-11(2)3)23(20,21)13-8-6-12(22-4)7-9-13/h6-9,11,14,19H,5,10H2,1-4H3,(H,16,18) | 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 | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103997
(CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25) | 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 | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50103987
(CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30) | 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 | 407 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-13 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103982
(4-Benzylsulfanyl-N-hydroxy-2-[(4-methoxy-benzenesu...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCOCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H31N3O7S2/c1-33-20-7-9-21(10-8-20)36(31,32)27(17-23(28)26-12-14-34-15-13-26)22(24(29)25-30)11-16-35-18-19-5-3-2-4-6-19/h2-10,22,30H,11-18H2,1H3,(H,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 532 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50103987
(CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30) | 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 | 705 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloprotease-3 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103989
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30) | 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 | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50103987
(CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30) | 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 | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-2 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50103987
(CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30) | 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 | 1.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal
Curated by ChEMBL
| Assay Description In vitro inhibition of human matrix metalloprotease-1 |
J Med Chem 44: 3066-73 (2001)
BindingDB Entry DOI: 10.7270/Q27S7N24 |
More data for this Ligand-Target Pair | |