Found 80 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 |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118985
(1-(Biphenyl-4-carbonyl)-4-(4-methoxy-benzenesulfon...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H27N3O6S/c1-39-25-15-17-26(18-16-25)40(37,38)33-19-24-9-5-6-10-27(24)32(20-28(33)29(34)31-36)30(35)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-18,28,36H,19-20H2,1H3,(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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118983
(1-Benzoyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-te...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C24H23N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h2-14,22,30H,15-16H2,1H3,(H,25,28) | 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118983
(1-Benzoyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-te...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C24H23N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h2-14,22,30H,15-16H2,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118985
(1-(Biphenyl-4-carbonyl)-4-(4-methoxy-benzenesulfon...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H27N3O6S/c1-39-25-15-17-26(18-16-25)40(37,38)33-19-24-9-5-6-10-27(24)32(20-28(33)29(34)31-36)30(35)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-18,28,36H,19-20H2,1H3,(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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118975
(4-(4-Methoxy-benzenesulfonyl)-1-(thiophene-2-carbo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cccs1 Show InChI InChI=1S/C22H21N3O6S2/c1-31-16-8-10-17(11-9-16)33(29,30)25-13-15-5-2-3-6-18(15)24(14-19(25)21(26)23-28)22(27)20-7-4-12-32-20/h2-12,19,28H,13-14H2,1H3,(H,23,26) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118974
(1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tet...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C19H21N3O6S/c1-13(23)21-12-18(19(24)20-25)22(11-14-5-3-4-6-17(14)21)29(26,27)16-9-7-15(28-2)8-10-16/h3-10,18,25H,11-12H2,1-2H3,(H,20,24) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118975
(4-(4-Methoxy-benzenesulfonyl)-1-(thiophene-2-carbo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cccs1 Show InChI InChI=1S/C22H21N3O6S2/c1-31-16-8-10-17(11-9-16)33(29,30)25-13-15-5-2-3-6-18(15)24(14-19(25)21(26)23-28)22(27)20-7-4-12-32-20/h2-12,19,28H,13-14H2,1H3,(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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118974
(1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tet...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C19H21N3O6S/c1-13(23)21-12-18(19(24)20-25)22(11-14-5-3-4-6-17(14)21)29(26,27)16-9-7-15(28-2)8-10-16/h3-10,18,25H,11-12H2,1-2H3,(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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118970
(1-Benzoyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]...)Show SMILES ONC(=O)C1CN(C(=O)c2ccccc2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C29H24ClN3O6S/c30-22-10-12-23(13-11-22)39-24-14-16-25(17-15-24)40(37,38)33-18-21-8-4-5-9-26(21)32(19-27(33)28(34)31-36)29(35)20-6-2-1-3-7-20/h1-17,27,36H,18-19H2,(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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118986
(1-(5-Fluoro-2-methyl-benzoyl)-4-(4-methoxy-benzene...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cc(F)ccc1C Show InChI InChI=1S/C25H24FN3O6S/c1-16-7-8-18(26)13-21(16)25(31)28-15-23(24(30)27-32)29(14-17-5-3-4-6-22(17)28)36(33,34)20-11-9-19(35-2)10-12-20/h3-13,23,32H,14-15H2,1-2H3,(H,27,30) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118970
(1-Benzoyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]...)Show SMILES ONC(=O)C1CN(C(=O)c2ccccc2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C29H24ClN3O6S/c30-22-10-12-23(13-11-22)39-24-14-16-25(17-15-24)40(37,38)33-18-21-8-4-5-9-26(21)32(19-27(33)28(34)31-36)29(35)20-6-2-1-3-7-20/h1-17,27,36H,18-19H2,(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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118971
(4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(thioph...)Show SMILES ONC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H22ClN3O6S2/c28-19-7-9-20(10-8-19)37-21-11-13-22(14-12-21)39(35,36)31-16-18-4-1-2-5-23(18)30(17-24(31)26(32)29-34)27(33)25-6-3-15-38-25/h1-15,24,34H,16-17H2,(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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118981
(1-(2-Methoxy-acetyl)-4-[4-(pyridin-4-yloxy)-benzen...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO Show InChI InChI=1S/C24H24N4O7S/c1-34-16-23(29)27-15-22(24(30)26-31)28(14-17-4-2-3-5-21(17)27)36(32,33)20-8-6-18(7-9-20)35-19-10-12-25-13-11-19/h2-13,22,31H,14-16H2,1H3,(H,26,30) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118969
(1-(4-Ethoxy-benzoyl)-4-(4-methoxy-benzenesulfonyl)...)Show SMILES CCOc1ccc(cc1)C(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C26H27N3O7S/c1-3-36-21-10-8-18(9-11-21)26(31)28-17-24(25(30)27-32)29(16-19-6-4-5-7-23(19)28)37(33,34)22-14-12-20(35-2)13-15-22/h4-15,24,32H,3,16-17H2,1-2H3,(H,27,30) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118981
(1-(2-Methoxy-acetyl)-4-[4-(pyridin-4-yloxy)-benzen...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO Show InChI InChI=1S/C24H24N4O7S/c1-34-16-23(29)27-15-22(24(30)26-31)28(14-17-4-2-3-5-21(17)27)36(32,33)20-8-6-18(7-9-20)35-19-10-12-25-13-11-19/h2-13,22,31H,14-16H2,1H3,(H,26,30) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118976
(1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118984
(4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(2-meth...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)NO Show InChI InChI=1S/C25H24ClN3O7S/c1-35-16-24(30)28-15-23(25(31)27-32)29(14-17-4-2-3-5-22(17)28)37(33,34)21-12-10-20(11-13-21)36-19-8-6-18(26)7-9-19/h2-13,23,32H,14-16H2,1H3,(H,27,31) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118969
(1-(4-Ethoxy-benzoyl)-4-(4-methoxy-benzenesulfonyl)...)Show SMILES CCOc1ccc(cc1)C(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C26H27N3O7S/c1-3-36-21-10-8-18(9-11-21)26(31)28-17-24(25(30)27-32)29(16-19-6-4-5-7-23(19)28)37(33,34)22-14-12-20(35-2)13-15-22/h4-15,24,32H,3,16-17H2,1-2H3,(H,27,30) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118984
(4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(2-meth...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)NO Show InChI InChI=1S/C25H24ClN3O7S/c1-35-16-24(30)28-15-23(25(31)27-32)29(14-17-4-2-3-5-22(17)28)37(33,34)21-12-10-20(11-13-21)36-19-8-6-18(26)7-9-19/h2-13,23,32H,14-16H2,1H3,(H,27,31) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118976
(1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(H,21,25) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118982
(1-Methanesulfonyl-4-(4-methoxy-benzenesulfonyl)-2,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C18H21N3O7S2/c1-28-14-7-9-15(10-8-14)30(26,27)21-11-13-5-3-4-6-16(13)20(29(2,24)25)12-17(21)18(22)19-23/h3-10,17,23H,11-12H2,1-2H3,(H,19,22) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118978
(1-Cyclopropanecarbonyl-4-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C21H23N3O6S/c1-30-16-8-10-17(11-9-16)31(28,29)24-12-15-4-2-3-5-18(15)23(21(26)14-6-7-14)13-19(24)20(25)22-27/h2-5,8-11,14,19,27H,6-7,12-13H2,1H3,(H,22,25) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118978
(1-Cyclopropanecarbonyl-4-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C21H23N3O6S/c1-30-16-8-10-17(11-9-16)31(28,29)24-12-15-4-2-3-5-18(15)23(21(26)14-6-7-14)13-19(24)20(25)22-27/h2-5,8-11,14,19,27H,6-7,12-13H2,1H3,(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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118971
(4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(thioph...)Show SMILES ONC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H22ClN3O6S2/c28-19-7-9-20(10-8-19)37-21-11-13-22(14-12-21)39(35,36)31-16-18-4-1-2-5-23(18)30(17-24(31)26(32)29-34)27(33)25-6-3-15-38-25/h1-15,24,34H,16-17H2,(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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118986
(1-(5-Fluoro-2-methyl-benzoyl)-4-(4-methoxy-benzene...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cc(F)ccc1C Show InChI InChI=1S/C25H24FN3O6S/c1-16-7-8-18(26)13-21(16)25(31)28-15-23(24(30)27-32)29(14-17-5-3-4-6-22(17)28)36(33,34)20-11-9-19(35-2)10-12-20/h3-13,23,32H,14-15H2,1-2H3,(H,27,30) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118973
(1-Cyclohexanecarbonyl-4-(4-methoxy-benzenesulfonyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H29N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h5-6,9-14,17,22,30H,2-4,7-8,15-16H2,1H3,(H,25,28) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118982
(1-Methanesulfonyl-4-(4-methoxy-benzenesulfonyl)-2,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C18H21N3O7S2/c1-28-14-7-9-15(10-8-14)30(26,27)21-11-13-5-3-4-6-16(13)20(29(2,24)25)12-17(21)18(22)19-23/h3-10,17,23H,11-12H2,1-2H3,(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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118980
(1-Benzoyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-2,3,...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C27H25N3O6S/c1-2-3-17-36-22-13-15-23(16-14-22)37(34,35)30-18-21-11-7-8-12-24(21)29(19-25(30)26(31)28-33)27(32)20-9-5-4-6-10-20/h4-16,25,33H,17-19H2,1H3,(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 | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118979
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1-cyclopropane...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C24H25N3O6S/c1-2-3-14-33-19-10-12-20(13-11-19)34(31,32)27-15-18-6-4-5-7-21(18)26(24(29)17-8-9-17)16-22(27)23(28)25-30/h4-7,10-13,17,22,30H,8-9,14-16H2,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118973
(1-Cyclohexanecarbonyl-4-(4-methoxy-benzenesulfonyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H29N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h5-6,9-14,17,22,30H,2-4,7-8,15-16H2,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118975
(4-(4-Methoxy-benzenesulfonyl)-1-(thiophene-2-carbo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cccs1 Show InChI InChI=1S/C22H21N3O6S2/c1-31-16-8-10-17(11-9-16)33(29,30)25-13-15-5-2-3-6-18(15)24(14-19(25)21(26)23-28)22(27)20-7-4-12-32-20/h2-12,19,28H,13-14H2,1H3,(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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118972
(1-Acetyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-2,3,4...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C22H23N3O6S/c1-3-4-13-31-18-9-11-19(12-10-18)32(29,30)25-14-17-7-5-6-8-20(17)24(16(2)26)15-21(25)22(27)23-28/h5-12,21,28H,13-15H2,1-2H3,(H,23,27) | 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118983
(1-Benzoyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-te...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C24H23N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h2-14,22,30H,15-16H2,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118967
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propiony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CCc1ccccc1 Show InChI InChI=1S/C26H27N3O6S/c1-35-21-12-14-22(15-13-21)36(33,34)29-17-20-9-5-6-10-23(20)28(18-24(29)26(31)27-32)25(30)16-11-19-7-3-2-4-8-19/h2-10,12-15,24,32H,11,16-18H2,1H3,(H,27,31) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118974
(1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tet...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C19H21N3O6S/c1-13(23)21-12-18(19(24)20-25)22(11-14-5-3-4-6-17(14)21)29(26,27)16-9-7-15(28-2)8-10-16/h3-10,18,25H,11-12H2,1-2H3,(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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118975
(4-(4-Methoxy-benzenesulfonyl)-1-(thiophene-2-carbo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cccs1 Show InChI InChI=1S/C22H21N3O6S2/c1-31-16-8-10-17(11-9-16)33(29,30)25-13-15-5-2-3-6-18(15)24(14-19(25)21(26)23-28)22(27)20-7-4-12-32-20/h2-12,19,28H,13-14H2,1H3,(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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118977
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118969
(1-(4-Ethoxy-benzoyl)-4-(4-methoxy-benzenesulfonyl)...)Show SMILES CCOc1ccc(cc1)C(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C26H27N3O7S/c1-3-36-21-10-8-18(9-11-21)26(31)28-17-24(25(30)27-32)29(16-19-6-4-5-7-23(19)28)37(33,34)22-14-12-20(35-2)13-15-22/h4-15,24,32H,3,16-17H2,1-2H3,(H,27,30) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118967
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propiony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CCc1ccccc1 Show InChI InChI=1S/C26H27N3O6S/c1-35-21-12-14-22(15-13-21)36(33,34)29-17-20-9-5-6-10-23(20)28(18-24(29)26(31)27-32)25(30)16-11-19-7-3-2-4-8-19/h2-10,12-15,24,32H,11,16-18H2,1H3,(H,27,31) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118979
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1-cyclopropane...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C24H25N3O6S/c1-2-3-14-33-19-10-12-20(13-11-19)34(31,32)27-15-18-6-4-5-7-21(18)26(24(29)17-8-9-17)16-22(27)23(28)25-30/h4-7,10-13,17,22,30H,8-9,14-16H2,1H3,(H,25,28) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118979
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1-cyclopropane...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C24H25N3O6S/c1-2-3-14-33-19-10-12-20(13-11-19)34(31,32)27-15-18-6-4-5-7-21(18)26(24(29)17-8-9-17)16-22(27)23(28)25-30/h4-7,10-13,17,22,30H,8-9,14-16H2,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118976
(1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118971
(4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(thioph...)Show SMILES ONC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H22ClN3O6S2/c28-19-7-9-20(10-8-19)37-21-11-13-22(14-12-21)39(35,36)31-16-18-4-1-2-5-23(18)30(17-24(31)26(32)29-34)27(33)25-6-3-15-38-25/h1-15,24,34H,16-17H2,(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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118977
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(H,22,25) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118980
(1-Benzoyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-2,3,...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C27H25N3O6S/c1-2-3-17-36-22-13-15-23(16-14-22)37(34,35)30-18-21-11-7-8-12-24(21)29(19-25(30)26(31)28-33)27(32)20-9-5-4-6-10-20/h4-16,25,33H,17-19H2,1H3,(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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118985
(1-(Biphenyl-4-carbonyl)-4-(4-methoxy-benzenesulfon...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H27N3O6S/c1-39-25-15-17-26(18-16-25)40(37,38)33-19-24-9-5-6-10-27(24)32(20-28(33)29(34)31-36)30(35)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-18,28,36H,19-20H2,1H3,(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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118986
(1-(5-Fluoro-2-methyl-benzoyl)-4-(4-methoxy-benzene...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cc(F)ccc1C Show InChI InChI=1S/C25H24FN3O6S/c1-16-7-8-18(26)13-21(16)25(31)28-15-23(24(30)27-32)29(14-17-5-3-4-6-22(17)28)36(33,34)20-11-9-19(35-2)10-12-20/h3-13,23,32H,14-15H2,1-2H3,(H,27,30) | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118980
(1-Benzoyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-2,3,...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C27H25N3O6S/c1-2-3-17-36-22-13-15-23(16-14-22)37(34,35)30-18-21-11-7-8-12-24(21)29(19-25(30)26(31)28-33)27(32)20-9-5-4-6-10-20/h4-16,25,33H,17-19H2,1H3,(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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118970
(1-Benzoyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]...)Show SMILES ONC(=O)C1CN(C(=O)c2ccccc2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C29H24ClN3O6S/c30-22-10-12-23(13-11-22)39-24-14-16-25(17-15-24)40(37,38)33-18-21-8-4-5-9-26(21)32(19-27(33)28(34)31-36)29(35)20-6-2-1-3-7-20/h1-17,27,36H,18-19H2,(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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118984
(4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(2-meth...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)NO Show InChI InChI=1S/C25H24ClN3O7S/c1-35-16-24(30)28-15-23(25(31)27-32)29(14-17-4-2-3-5-22(17)28)37(33,34)21-12-10-20(11-13-21)36-19-8-6-18(26)7-9-19/h2-13,23,32H,14-16H2,1H3,(H,27,31) | 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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118978
(1-Cyclopropanecarbonyl-4-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C21H23N3O6S/c1-30-16-8-10-17(11-9-16)31(28,29)24-12-15-4-2-3-5-18(15)23(21(26)14-6-7-14)13-19(24)20(25)22-27/h2-5,8-11,14,19,27H,6-7,12-13H2,1H3,(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 | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118972
(1-Acetyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-2,3,4...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C22H23N3O6S/c1-3-4-13-31-18-9-11-19(12-10-18)32(29,30)25-14-17-7-5-6-8-20(17)24(16(2)26)15-21(25)22(27)23-28/h5-12,21,28H,13-15H2,1-2H3,(H,23,27) | 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 | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118976
(1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(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 | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118983
(1-Benzoyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-te...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C24H23N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h2-14,22,30H,15-16H2,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118977
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118974
(1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tet...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C19H21N3O6S/c1-13(23)21-12-18(19(24)20-25)22(11-14-5-3-4-6-17(14)21)29(26,27)16-9-7-15(28-2)8-10-16/h3-10,18,25H,11-12H2,1-2H3,(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 | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118982
(1-Methanesulfonyl-4-(4-methoxy-benzenesulfonyl)-2,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C18H21N3O7S2/c1-28-14-7-9-15(10-8-14)30(26,27)21-11-13-5-3-4-6-16(13)20(29(2,24)25)12-17(21)18(22)19-23/h3-10,17,23H,11-12H2,1-2H3,(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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118981
(1-(2-Methoxy-acetyl)-4-[4-(pyridin-4-yloxy)-benzen...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO Show InChI InChI=1S/C24H24N4O7S/c1-34-16-23(29)27-15-22(24(30)26-31)28(14-17-4-2-3-5-21(17)27)36(32,33)20-8-6-18(7-9-20)35-19-10-12-25-13-11-19/h2-13,22,31H,14-16H2,1H3,(H,26,30) | 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 | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118969
(1-(4-Ethoxy-benzoyl)-4-(4-methoxy-benzenesulfonyl)...)Show SMILES CCOc1ccc(cc1)C(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C26H27N3O7S/c1-3-36-21-10-8-18(9-11-21)26(31)28-17-24(25(30)27-32)29(16-19-6-4-5-7-23(19)28)37(33,34)22-14-12-20(35-2)13-15-22/h4-15,24,32H,3,16-17H2,1-2H3,(H,27,30) | 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 | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118982
(1-Methanesulfonyl-4-(4-methoxy-benzenesulfonyl)-2,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C18H21N3O7S2/c1-28-14-7-9-15(10-8-14)30(26,27)21-11-13-5-3-4-6-16(13)20(29(2,24)25)12-17(21)18(22)19-23/h3-10,17,23H,11-12H2,1-2H3,(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 | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118984
(4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(2-meth...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)NO Show InChI InChI=1S/C25H24ClN3O7S/c1-35-16-24(30)28-15-23(25(31)27-32)29(14-17-4-2-3-5-22(17)28)37(33,34)21-12-10-20(11-13-21)36-19-8-6-18(26)7-9-19/h2-13,23,32H,14-16H2,1H3,(H,27,31) | 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 | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118980
(1-Benzoyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-2,3,...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C27H25N3O6S/c1-2-3-17-36-22-13-15-23(16-14-22)37(34,35)30-18-21-11-7-8-12-24(21)29(19-25(30)26(31)28-33)27(32)20-9-5-4-6-10-20/h4-16,25,33H,17-19H2,1H3,(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 | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118978
(1-Cyclopropanecarbonyl-4-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C21H23N3O6S/c1-30-16-8-10-17(11-9-16)31(28,29)24-12-15-4-2-3-5-18(15)23(21(26)14-6-7-14)13-19(24)20(25)22-27/h2-5,8-11,14,19,27H,6-7,12-13H2,1H3,(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 | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118968
(4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methyl-piper...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CN1CCN(C)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-26-11-13-27(14-12-26)17-23(30)28-16-22(24(31)25-32)29(15-18-5-3-4-6-21(18)28)36(33,34)20-9-7-19(35-2)8-10-20/h3-10,22,32H,11-17H2,1-2H3,(H,25,31) | 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 | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118985
(1-(Biphenyl-4-carbonyl)-4-(4-methoxy-benzenesulfon...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H27N3O6S/c1-39-25-15-17-26(18-16-25)40(37,38)33-19-24-9-5-6-10-27(24)32(20-28(33)29(34)31-36)30(35)23-13-11-22(12-14-23)21-7-3-2-4-8-21/h2-18,28,36H,19-20H2,1H3,(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 | 199 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118967
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propiony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CCc1ccccc1 Show InChI InChI=1S/C26H27N3O6S/c1-35-21-12-14-22(15-13-21)36(33,34)29-17-20-9-5-6-10-23(20)28(18-24(29)26(31)27-32)25(30)16-11-19-7-3-2-4-8-19/h2-10,12-15,24,32H,11,16-18H2,1H3,(H,27,31) | 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 | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50118972
(1-Acetyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-2,3,4...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C22H23N3O6S/c1-3-4-13-31-18-9-11-19(12-10-18)32(29,30)25-14-17-7-5-6-8-20(17)24(16(2)26)15-21(25)22(27)23-28/h5-12,21,28H,13-15H2,1-2H3,(H,23,27) | 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 | 228 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118971
(4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(thioph...)Show SMILES ONC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H22ClN3O6S2/c28-19-7-9-20(10-8-19)37-21-11-13-22(14-12-21)39(35,36)31-16-18-4-1-2-5-23(18)30(17-24(31)26(32)29-34)27(33)25-6-3-15-38-25/h1-15,24,34H,16-17H2,(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 | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118977
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfo...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118986
(1-(5-Fluoro-2-methyl-benzoyl)-4-(4-methoxy-benzene...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cc(F)ccc1C Show InChI InChI=1S/C25H24FN3O6S/c1-16-7-8-18(26)13-21(16)25(31)28-15-23(24(30)27-32)29(14-17-5-3-4-6-22(17)28)36(33,34)20-11-9-19(35-2)10-12-20/h3-13,23,32H,14-15H2,1-2H3,(H,27,30) | 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 | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50118968
(4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methyl-piper...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CN1CCN(C)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-26-11-13-27(14-12-26)17-23(30)28-16-22(24(31)25-32)29(15-18-5-3-4-6-21(18)28)36(33,34)20-9-7-19(35-2)8-10-20/h3-10,22,32H,11-17H2,1-2H3,(H,25,31) | 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 | 317 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118973
(1-Cyclohexanecarbonyl-4-(4-methoxy-benzenesulfonyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H29N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h5-6,9-14,17,22,30H,2-4,7-8,15-16H2,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 318 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118973
(1-Cyclohexanecarbonyl-4-(4-methoxy-benzenesulfonyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H29N3O6S/c1-33-19-11-13-20(14-12-19)34(31,32)27-15-18-9-5-6-10-21(18)26(16-22(27)23(28)25-30)24(29)17-7-3-2-4-8-17/h5-6,9-14,17,22,30H,2-4,7-8,15-16H2,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 465 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118967
(4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propiony...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CCc1ccccc1 Show InChI InChI=1S/C26H27N3O6S/c1-35-21-12-14-22(15-13-21)36(33,34)29-17-20-9-5-6-10-23(20)28(18-24(29)26(31)27-32)25(30)16-11-19-7-3-2-4-8-19/h2-10,12-15,24,32H,11,16-18H2,1H3,(H,27,31) | 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 | 523 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118970
(1-Benzoyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]...)Show SMILES ONC(=O)C1CN(C(=O)c2ccccc2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C29H24ClN3O6S/c30-22-10-12-23(13-11-22)39-24-14-16-25(17-15-24)40(37,38)33-18-21-8-4-5-9-26(21)32(19-27(33)28(34)31-36)29(35)20-6-2-1-3-7-20/h1-17,27,36H,18-19H2,(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 | 528 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118981
(1-(2-Methoxy-acetyl)-4-[4-(pyridin-4-yloxy)-benzen...)Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO Show InChI InChI=1S/C24H24N4O7S/c1-34-16-23(29)27-15-22(24(30)26-31)28(14-17-4-2-3-5-21(17)27)36(32,33)20-8-6-18(7-9-20)35-19-10-12-25-13-11-19/h2-13,22,31H,14-16H2,1H3,(H,26,30) | 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 | 763 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50118968
(4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methyl-piper...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CN1CCN(C)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-26-11-13-27(14-12-26)17-23(30)28-16-22(24(31)25-32)29(15-18-5-3-4-6-21(18)28)36(33,34)20-9-7-19(35-2)8-10-20/h3-10,22,32H,11-17H2,1-2H3,(H,25,31) | 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 | 808 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118972
(1-Acetyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-2,3,4...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C22H23N3O6S/c1-3-4-13-31-18-9-11-19(12-10-18)32(29,30)25-14-17-7-5-6-8-20(17)24(16(2)26)15-21(25)22(27)23-28/h5-12,21,28H,13-15H2,1-2H3,(H,23,27) | 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 | 835 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118979
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1-cyclopropane...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C24H25N3O6S/c1-2-3-14-33-19-10-12-20(13-11-19)34(31,32)27-15-18-6-4-5-7-21(18)26(24(29)17-8-9-17)16-22(27)23(28)25-30/h4-7,10-13,17,22,30H,8-9,14-16H2,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 841 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50118968
(4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methyl-piper...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CN1CCN(C)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-26-11-13-27(14-12-26)17-23(30)28-16-22(24(31)25-32)29(15-18-5-3-4-6-21(18)28)36(33,34)20-9-7-19(35-2)8-10-20/h3-10,22,32H,11-17H2,1-2H3,(H,25,31) | 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 | 4.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 2867-70 (2002)
BindingDB Entry DOI: 10.7270/Q2JS9PSH |
More data for this Ligand-Target Pair | |