Found 40 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 |
|---|
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084738
(4-(2-Amino-4-methyl-thiazole-5-sulfonyl)-1-(4-meth...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1sc(N)nc1C Show InChI InChI=1S/C16H21N5O7S3/c1-10-15(29-16(17)18-10)31(26,27)20-7-8-21(13(9-20)14(22)19-23)30(24,25)12-5-3-11(28-2)4-6-12/h3-6,13,23H,7-9H2,1-2H3,(H2,17,18)(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084761
(4-(3,5-Dimethyl-isoxazole-4-sulfonyl)-1-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1c(C)noc1C Show InChI InChI=1S/C17H22N4O8S2/c1-11-16(12(2)29-19-11)31(26,27)20-8-9-21(15(10-20)17(22)18-23)30(24,25)14-6-4-13(28-3)5-7-14/h4-7,15,23H,8-10H2,1-3H3,(H,18,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084743
(4-Methanesulfonyl-1-(4-methoxy-benzenesulfonyl)-pi...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C13H19N3O7S2/c1-23-10-3-5-11(6-4-10)25(21,22)16-8-7-15(24(2,19)20)9-12(16)13(17)14-18/h3-6,12,18H,7-9H2,1-2H3,(H,14,17) | 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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084757
(4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...)Show SMILES CCCCCCN(C)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H32N4O6S/c1-4-5-6-7-12-22(2)20(26)23-13-14-24(18(15-23)19(25)21-27)31(28,29)17-10-8-16(30-3)9-11-17/h8-11,18,27H,4-7,12-15H2,1-3H3,(H,21,25) | 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 |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084758
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...)Show SMILES CCOCCCOC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O8S/c1-3-28-11-4-12-29-18(23)20-9-10-21(16(13-20)17(22)19-24)30(25,26)15-7-5-14(27-2)6-8-15/h5-8,16,24H,3-4,9-13H2,1-2H3,(H,19,22) | 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 | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084746
(4-(Furan-2-carbonyl)-1-(4-methoxy-benzenesulfonyl)...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1ccco1 Show InChI InChI=1S/C17H19N3O7S/c1-26-12-4-6-13(7-5-12)28(24,25)20-9-8-19(11-14(20)16(21)18-23)17(22)15-3-2-10-27-15/h2-7,10,14,23H,8-9,11H2,1H3,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084734
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1cccnc1 Show InChI InChI=1S/C19H22N4O7S/c1-29-15-4-6-16(7-5-15)31(27,28)23-10-9-22(12-17(23)18(24)21-26)19(25)30-13-14-3-2-8-20-11-14/h2-8,11,17,26H,9-10,12-13H2,1H3,(H,21,24) | 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 | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084725
(1-(4-Methoxy-benzenesulfonyl)-4-(2-phenoxy-acetyl)...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)COc1ccccc1 Show InChI InChI=1S/C20H23N3O7S/c1-29-15-7-9-17(10-8-15)31(27,28)23-12-11-22(13-18(23)20(25)21-26)19(24)14-30-16-5-3-2-4-6-16/h2-10,18,26H,11-14H2,1H3,(H,21,25) | 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 | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084749
(1-(4-Methoxy-benzenesulfonyl)-4-(4-phenyl-thiazol-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C21H22N4O5S2/c1-30-16-7-9-17(10-8-16)32(28,29)25-12-11-24(13-19(25)20(26)23-27)21-22-18(14-31-21)15-5-3-2-4-6-15/h2-10,14,19,27H,11-13H2,1H3,(H,23,26) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084741
(1,4-Bis-(4-methoxy-benzenesulfonyl)-piperazine-2-c...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-3-7-16(8-4-14)31(25,26)21-11-12-22(18(13-21)19(23)20-24)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,18,24H,11-13H2,1-2H3,(H,20,23) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084728
(4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)Nc1cccc(OC)c1 Show InChI InChI=1S/C20H24N4O7S/c1-30-15-6-8-17(9-7-15)32(28,29)24-11-10-23(13-18(24)19(25)22-27)20(26)21-14-4-3-5-16(12-14)31-2/h3-9,12,18,27H,10-11,13H2,1-2H3,(H,21,26)(H,22,25) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084754
(1-(4-Methoxy-benzenesulfonyl)-4-(thiophene-2-carbo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1cccs1 Show InChI InChI=1S/C17H19N3O6S2/c1-26-12-4-6-13(7-5-12)28(24,25)20-9-8-19(11-14(20)16(21)18-23)17(22)15-3-2-10-27-15/h2-7,10,14,23H,8-9,11H2,1H3,(H,18,21) | 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 |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084760
(4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H24N4O6S/c1-30-16-7-9-17(10-8-16)31(28,29)24-12-11-23(14-18(24)19(25)22-27)20(26)21-13-15-5-3-2-4-6-15/h2-10,18,27H,11-14H2,1H3,(H,21,26)(H,22,25) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084744
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H23N3O7S/c1-29-16-7-9-17(10-8-16)31(27,28)23-12-11-22(13-18(23)19(24)21-26)20(25)30-14-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084729
(4-Acetyl-1-(4-methoxy-benzenesulfonyl)-piperazine-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C14H19N3O6S/c1-10(18)16-7-8-17(13(9-16)14(19)15-20)24(21,22)12-5-3-11(23-2)4-6-12/h3-6,13,20H,7-9H2,1-2H3,(H,15,19) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084750
(4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(N)=O Show InChI InChI=1S/C13H18N4O6S/c1-23-9-2-4-10(5-3-9)24(21,22)17-7-6-16(13(14)19)8-11(17)12(18)15-20/h2-5,11,20H,6-8H2,1H3,(H2,14,19)(H,15,18) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084726
(4-(Biphenyl-4-carbonyl)-1-(4-methoxy-benzenesulfon...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084752
(4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C21H26N4O6S/c1-31-17-7-9-18(10-8-17)32(29,30)25-14-13-24(15-19(25)20(26)23-28)21(27)22-12-11-16-5-3-2-4-6-16/h2-10,19,28H,11-15H2,1H3,(H,22,27)(H,23,26) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084747
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1 Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084730
(4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...)Show SMILES CCCCCCNC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H30N4O6S/c1-3-4-5-6-11-20-19(25)22-12-13-23(17(14-22)18(24)21-26)30(27,28)16-9-7-15(29-2)8-10-16/h7-10,17,26H,3-6,11-14H2,1-2H3,(H,20,25)(H,21,24) | 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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084742
(4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C21H26N4O6S/c1-23(14-16-6-4-3-5-7-16)21(27)24-12-13-25(19(15-24)20(26)22-28)32(29,30)18-10-8-17(31-2)9-11-18/h3-11,19,28H,12-15H2,1-2H3,(H,22,26) | 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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084745
(4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...)Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084762
(4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=S)NCc1ccccc1 Show InChI InChI=1S/C20H24N4O5S2/c1-29-16-7-9-17(10-8-16)31(27,28)24-12-11-23(14-18(24)19(25)22-26)20(30)21-13-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,30)(H,22,25) | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50082536
(1-(4-Methoxy-benzenesulfonyl)-piperazine-2-carboxy...)Show InChI InChI=1S/C12H17N3O5S/c1-20-9-2-4-10(5-3-9)21(18,19)15-7-6-13-8-11(15)12(16)14-17/h2-5,11,13,17H,6-8H2,1H3,(H,14,16) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084756
(4-(Azepane-1-carbonyl)-1-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCCCCC1 Show InChI InChI=1S/C19H28N4O6S/c1-29-15-6-8-16(9-7-15)30(27,28)23-13-12-22(14-17(23)18(24)20-26)19(25)21-10-4-2-3-5-11-21/h6-9,17,26H,2-5,10-14H2,1H3,(H,20,24) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084759
(4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzen...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C17H25N3O7S/c1-11(2)15(21)17(23)19-8-9-20(14(10-19)16(22)18-24)28(25,26)13-6-4-12(27-3)5-7-13/h4-7,11,14-15,21,24H,8-10H2,1-3H3,(H,18,22)/t14?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 60.0 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084763
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H25N3O7S/c1-17(2,3)27-16(22)19-9-10-20(14(11-19)15(21)18-23)28(24,25)13-7-5-12(26-4)6-8-13/h5-8,14,23H,9-11H2,1-4H3,(H,18,21) | 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 | 60.0 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084731
(4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...)Show SMILES CCCN(CC1CC1)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H30N4O6S/c1-3-10-22(13-15-4-5-15)20(26)23-11-12-24(18(14-23)19(25)21-27)31(28,29)17-8-6-16(30-2)7-9-17/h6-9,15,18,27H,3-5,10-14H2,1-2H3,(H,21,25) | 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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084737
(4-Benzoyl-1-(4-methoxy-benzenesulfonyl)-piperazine...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h2-10,17,25H,11-13H2,1H3,(H,20,23) | 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 | 66.0 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084755
(4-Hexyl-1-(4-methoxy-benzenesulfonyl)-piperazine-2...)Show SMILES CCCCCCN1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H29N3O5S/c1-3-4-5-6-11-20-12-13-21(17(14-20)18(22)19-23)27(24,25)16-9-7-15(26-2)8-10-16/h7-10,17,23H,3-6,11-14H2,1-2H3,(H,19,22) | 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 | 71.0 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084733
(4-Benzyl-1-(4-methoxy-benzenesulfonyl)-piperazine-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1C(=O)NO Show InChI InChI=1S/C19H23N3O5S/c1-27-16-7-9-17(10-8-16)28(25,26)22-12-11-21(14-18(22)19(23)20-24)13-15-5-3-2-4-6-15/h2-10,18,24H,11-14H2,1H3,(H,20,23) | 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 | 75.0 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084735
(1-(4-Methoxy-benzenesulfonyl)-4-(4-methyl-piperazi...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C18H27N5O6S/c1-20-7-9-21(10-8-20)18(25)22-11-12-23(16(13-22)17(24)19-26)30(27,28)15-5-3-14(29-2)4-6-15/h3-6,16,26H,7-13H2,1-2H3,(H,19,24) | 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 | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084753
(1-(4-Methoxy-benzenesulfonyl)-4-(morpholine-4-carb...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H24N4O7S/c1-27-13-2-4-14(5-3-13)29(25,26)21-7-6-20(12-15(21)16(22)18-24)17(23)19-8-10-28-11-9-19/h2-5,15,24H,6-12H2,1H3,(H,18,22) | 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 | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084740
(4-(Isoxazole-5-carbonyl)-1-(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1ccno1 Show InChI InChI=1S/C16H18N4O7S/c1-26-11-2-4-12(5-3-11)28(24,25)20-9-8-19(10-13(20)15(21)18-23)16(22)14-6-7-17-27-14/h2-7,13,23H,8-10H2,1H3,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084727
(1-(4-Methoxy-benzenesulfonyl)-4-(4-methyl-[1,2,3]t...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1snnc1C Show InChI InChI=1S/C16H19N5O6S2/c1-10-14(28-19-17-10)16(23)20-7-8-21(13(9-20)15(22)18-24)29(25,26)12-5-3-11(27-2)4-6-12/h3-6,13,24H,7-9H2,1-2H3,(H,18,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084751
(4-(4-Bromo-benzenesulfonyl)-piperazine-1,3-dicarbo...)Show SMILES CCCCCCN(C)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C19H29BrN4O5S/c1-3-4-5-6-11-22(2)19(26)23-12-13-24(17(14-23)18(25)21-27)30(28,29)16-9-7-15(20)8-10-16/h7-10,17,27H,3-6,11-14H2,1-2H3,(H,21,25) | 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 | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084739
(1-(4-Methoxy-benzenesulfonyl)-4-(pyridine-3-carbon...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1cccnc1 Show InChI InChI=1S/C18H20N4O6S/c1-28-14-4-6-15(7-5-14)29(26,27)22-10-9-21(12-16(22)17(23)20-25)18(24)13-3-2-8-19-11-13/h2-8,11,16,25H,9-10,12H2,1H3,(H,20,23) | 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 | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084748
(1-(4-Methoxy-benzenesulfonyl)-4-methyl-piperazine-...)Show InChI InChI=1S/C13H19N3O5S/c1-15-7-8-16(12(9-15)13(17)14-18)22(19,20)11-5-3-10(21-2)4-6-11/h3-6,12,18H,7-9H2,1-2H3,(H,14,17) | 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 | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084732
(4-(4-Bromo-benzenesulfonyl)-piperazine-1,3-dicarbo...)Show SMILES COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C18H27BrN4O7S/c1-29-11-9-21(10-12-30-2)18(25)22-7-8-23(16(13-22)17(24)20-26)31(27,28)15-5-3-14(19)4-6-15/h3-6,16,26H,7-13H2,1-2H3,(H,20,24) | 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 | 385 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50084736
(1-(4-Methoxy-benzenesulfonyl)-4-(5-methyl-3-phenyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1c(C)onc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O7S/c1-15-20(21(25-34-15)16-6-4-3-5-7-16)23(29)26-12-13-27(19(14-26)22(28)24-30)35(31,32)18-10-8-17(33-2)9-11-18/h3-11,19,30H,12-14H2,1-2H3,(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis
Curated by ChEMBL
| Assay Description
Binding affinity towards matrix metalloprotease-3 |
J Med Chem 44: 3849-55 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5HWX |
More data for this
Ligand-Target Pair | |
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