Found 170 hits with Last Name = 'yokota' and Initial = 'k' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50131385
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 9 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50143729
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 9 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50143729
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 3 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50131385
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 3 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50141577
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human tumor necrosis factor alpha converting enzyme |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50143732
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human tumor necrosis factor alpha converting enzyme |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50143731
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10-,11-,12-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 3 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50143731
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10-,11-,12-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 9 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50143732
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 3 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-1 (MMP-1) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131385
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human tumor necrosis factor alpha converting enzyme |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50141577
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 3 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-3 (MMP-3) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291705
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H22F3N2O5P/c1-29-16-6-8-17(9-7-16)31(28,30-11-10-20(21,22)23)25-13-15-5-3-2-4-14(15)12-18(25)19(26)24-27/h2-9,18,27H,10-13H2,1H3,(H,24,26)/t18-,31-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-1 (MMP-1) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-3 (MMP-3) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50143729
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 1 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-1 (MMP-1) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50143729
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human tumor necrosis factor alpha converting enzyme |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-1 (MMP-1) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291702
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H21F2N2O5P/c1-27-15-6-8-16(9-7-15)29(26,28-12-18(20)21)23-11-14-5-3-2-4-13(14)10-17(23)19(24)22-25/h2-9,17-18,25H,10-12H2,1H3,(H,22,24)/t17-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-3 (MMP-3) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291704
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)Show SMILES COc1ccc(cc1)[P@](=O)(OCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H20F3N2O5P/c1-28-15-6-8-16(9-7-15)30(27,29-12-19(20,21)22)24-11-14-5-3-2-4-13(14)10-17(24)18(25)23-26/h2-9,17,26H,10-12H2,1H3,(H,23,25)/t17-,30+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-3 (MMP-3) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50143732
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 9 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50131385
((2R,3R,4R,5S)-3,4,5-Trihydroxy-1-(4-phenoxy-benzen...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 1 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50291707
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-3 (MMP-3) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291707
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50291707
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCF)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C19H22FN2O5P/c1-26-16-6-8-17(9-7-16)28(25,27-11-10-20)22-13-15-5-3-2-4-14(15)12-18(22)19(23)21-24/h2-9,18,24H,10-13H2,1H3,(H,21,23)/t18-,28-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-1 (MMP-1) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50141577
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 9 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50143731
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10-,11-,12-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human tumor necrosis factor alpha converting enzyme |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50157339
(4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...)Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human Coagulation factor X |
J Med Chem 48: 3586-604 (2005)
Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36 |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50143730
((2R,3R,4R,5R)-1-(Biphenyl-4-sulfonyl)-3,4,5-trihyd...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H20N2O7S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)28(26,27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human tumor necrosis factor alpha converting enzyme |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50143731
((2R,3R,4R,5R)-3,4,5-Trihydroxy-1-(4-methoxy-benzen...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C13H18N2O8S/c1-23-7-2-4-8(5-3-7)24(21,22)15-6-9(16)11(17)12(18)10(15)13(19)14-20/h2-5,9-12,16-18,20H,6H2,1H3,(H,14,19)/t9-,10-,11-,12-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 1 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50068488
((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human Coagulation factor X |
J Med Chem 48: 3586-604 (2005)
Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50143730
((2R,3R,4R,5R)-1-(Biphenyl-4-sulfonyl)-3,4,5-trihyd...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H20N2O7S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)28(26,27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 9 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50143730
((2R,3R,4R,5R)-1-(Biphenyl-4-sulfonyl)-3,4,5-trihyd...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H20N2O7S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)28(26,27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 3 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50141577
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H20N2O8S/c1-2-3-8-26-10-4-6-11(7-5-10)27(24,25)18-9-12(19)14(20)15(21)13(18)16(22)17-23/h4-7,12-15,19-21,23H,8-9H2,1H3,(H,17,22)/t12-,13-,14-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 1 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50143730
((2R,3R,4R,5R)-1-(Biphenyl-4-sulfonyl)-3,4,5-trihyd...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H20N2O7S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)28(26,27)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15-,16-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 1 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068488
((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human Trypsin |
J Med Chem 48: 3586-604 (2005)
Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50109641
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show InChI InChI=1S/C10H12N2O2/c13-10(12-14)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11,14H,5-6H2,(H,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-3 (MMP-3) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-3 (MMP-3) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50109641
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)Show InChI InChI=1S/C10H12N2O2/c13-10(12-14)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11,14H,5-6H2,(H,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-9 (MMP-9) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50171860
(((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin...)Show SMILES CCOP(=O)(N1Cc2ccccc2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18-,27?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of Matrix metalloprotease-1 (MMP-1) |
J Med Chem 45: 930-6 (2002)
BindingDB Entry DOI: 10.7270/Q2QV3KS7 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50143732
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center N-21
Curated by ChEMBL
| Assay Description Inhibition of human recombinant matrix metalloprotease 1 |
J Med Chem 47: 1930-8 (2004)
Article DOI: 10.1021/jm0304313 BindingDB Entry DOI: 10.7270/Q2ZS2VXF |
More data for this Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50157339
(4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-...)Show SMILES NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1 Show InChI InChI=1S/C21H26N6O3/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human Trypsin |
J Med Chem 48: 3586-604 (2005)
Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36 |
More data for this Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50157341
(3-(2-Carbamimidoyl-isoquinolin-7-yl)-2-{4-[1-(1-im...)Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)C(Cc1ccc2cc[n+](cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C25H27N5O3/c1-16(26)29-11-9-22(15-29)33-21-6-4-19(5-7-21)23(24(31)32)13-17-2-3-18-8-10-30(25(27)28)14-20(18)12-17/h2-8,10,12,14,22-23,26H,9,11,13,15H2,1H3,(H3-,27,28,31,32)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Mean inhibitory concentration against plasmin; n=3 |
Bioorg Med Chem Lett 15: 185-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.033 BindingDB Entry DOI: 10.7270/Q26Q1Z14 |
More data for this Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50068488
((S)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human Plasmin |
J Med Chem 48: 3586-604 (2005)
Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36 |
More data for this Ligand-Target Pair | |