Found 573 hits with Last Name = 'nishimura' and Initial = 's' 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
| PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-9 |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
More data for this Ligand-Target Pair | |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2741-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JQ10DK |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50141575
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)Show SMILES CO[C@H]1[C@H](O)[C@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1 Show InChI InChI=1S/C17H22N2O8S/c1-3-4-9-27-11-5-7-12(8-6-11)28(24,25)19-10-13(20)15(21)16(26-2)14(19)17(22)18-23/h5-8,13-16,20-21,23H,9-10H2,1-2H3,(H,18,22)/t13-,14-,15-,16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.430 | 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 recombinant human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 14: 1569-72 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.091 BindingDB Entry DOI: 10.7270/Q2KS6QZB |
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 | |
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
| PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
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)) | 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 |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TNF-alpha converting enzyme |
Bioorg Med Chem Lett 14: 1569-72 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.091 BindingDB Entry DOI: 10.7270/Q2KS6QZB |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50141576
((3aR,6R,7R,7aS)-5-(4-But-2-ynyloxy-benzenesulfonyl...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@H]2OC(C)(C)O[C@H]2[C@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C19H24N2O8S/c1-4-5-10-27-12-6-8-13(9-7-12)30(25,26)21-11-14-17(29-19(2,3)28-14)16(22)15(21)18(23)20-24/h6-9,14-17,22,24H,10-11H2,1-3H3,(H,20,23)/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
| 0.570 | 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 recombinant human TNF-alpha converting enzyme |
Bioorg Med Chem Lett 14: 1569-72 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.091 BindingDB Entry DOI: 10.7270/Q2KS6QZB |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50141574
((3aR,6R,7R,7aR)-5-(4-But-2-ynyloxy-benzenesulfonyl...)Show SMILES CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1 Show InChI InChI=1S/C20H26N2O8S/c1-5-6-11-28-13-7-9-14(10-8-13)31(25,26)22-12-15-17(30-20(2,3)29-15)18(27-4)16(22)19(23)21-24/h7-10,15-18,24H,11-12H2,1-4H3,(H,21,23)/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
| 0.840 | 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 recombinant human TNF-alpha converting enzyme |
Bioorg Med Chem Lett 14: 1569-72 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.091 BindingDB Entry DOI: 10.7270/Q2KS6QZB |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50131382
((2R,3R,4R,5S)-1-(4-Cyclohexyloxy-benzenesulfonyl)-...)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/C18H26N2O8S/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/h6-9,11,14-17,21-23,25H,1-5,10H2,(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
Similars
| PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-9 |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of Recombinant human matrix metalloproteinase-1 |
Bioorg Med Chem Lett 13: 2741-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JQ10DK |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50063917
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-1 |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50131381
((2R,3R,4R,5S)-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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TNF-alpha converting enzyme (TACE) |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50131386
((2R,3S,4R,5S)-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-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
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)) | BDBM50131382
((2R,3R,4R,5S)-1-(4-Cyclohexyloxy-benzenesulfonyl)-...)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/C18H26N2O8S/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/h6-9,11,14-17,21-23,25H,1-5,10H2,(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
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50141575
((2R,3R,4R,5R)-1-(4-But-2-ynyloxy-benzenesulfonyl)-...)Show SMILES CO[C@H]1[C@H](O)[C@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1 Show InChI InChI=1S/C17H22N2O8S/c1-3-4-9-27-11-5-7-12(8-6-11)28(24,25)19-10-13(20)15(21)16(26-2)14(19)17(22)18-23/h5-8,13-16,20-21,23H,9-10H2,1-2H3,(H,18,22)/t13-,14-,15-,16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | 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 recombinant human TNF-alpha converting enzyme |
Bioorg Med Chem Lett 14: 1569-72 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.091 BindingDB Entry DOI: 10.7270/Q2KS6QZB |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50141578
((3aR,4R,7R,7aR)-5-(4-But-2-ynyloxy-benzenesulfonyl...)Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)[C@H]2OC(C)(C)O[C@@H]2[C@@H]1C(=O)NO Show InChI InChI=1S/C19H24N2O8S/c1-4-5-10-27-12-6-8-13(9-7-12)30(25,26)21-11-14(22)16-17(15(21)18(23)20-24)29-19(2,3)28-16/h6-9,14-17,22,24H,10-11H2,1-3H3,(H,20,23)/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
| 1.90 | 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 recombinant human TNF-alpha converting enzyme |
Bioorg Med Chem Lett 14: 1569-72 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.091 BindingDB Entry DOI: 10.7270/Q2KS6QZB |
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)) | 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 | |
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 Inhibitory constant against recombinant human Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 | |
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
| PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TNF-alpha converting enzyme |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50131381
((2R,3R,4R,5S)-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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
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 |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 14: 1569-72 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.091 BindingDB Entry DOI: 10.7270/Q2KS6QZB |
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 Inhibitory constant against recombinant human Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50131390
((1S,2S,6R,7aS)-7-Hydroxy-5-(4-methoxy-benzenesulfo...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2OC(C)(C)O[C@H]2[C@@H](O)[C@@H]1C(=O)NO Show InChI InChI=1S/C16H22N2O8S/c1-16(2)25-11-8-18(12(15(20)17-21)13(19)14(11)26-16)27(22,23)10-6-4-9(24-3)5-7-10/h4-7,11-14,19,21H,8H2,1-3H3,(H,17,20)/t11-,12+,13-,14+/m0/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 |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-3 |
Bioorg Med Chem Lett 13: 2741-4 (2003)
BindingDB Entry DOI: 10.7270/Q2JQ10DK |
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 Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3) |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3) |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 Inhibitory constant against recombinant human Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50131383
((2R,3R,4R,5S)-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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-9 |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
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 Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3) |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9) |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9) |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50291703
((S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)Show SMILES COc1ccc(cc1)[P@@](=O)(OCCCC(F)(F)F)N1Cc2ccccc2C[C@@H]1C(=O)NO Show InChI InChI=1S/C21H24F3N2O5P/c1-30-17-7-9-18(10-8-17)32(29,31-12-4-11-21(22,23)24)26-14-16-6-3-2-5-15(16)13-19(26)20(27)25-28/h2-3,5-10,19,28H,4,11-14H2,1H3,(H,25,27)/t19-,32-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3) |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 Inhibitory constant against recombinant human Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50131381
((2R,3R,4R,5S)-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+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hokkaido Collaboration Center
Curated by ChEMBL
| Assay Description Inhibition of recombinant human matrix metalloproteinase-9 |
Bioorg Med Chem Lett 13: 2737-40 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31SG |
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
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon K.K.
Curated by ChEMBL
| Assay Description Inhibitory constant against recombinant human Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 Inhibitory constant against recombinant human Matrix metalloproteinase-1 |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 Inhibitory constant against recombinant human gelatinase B (Matrix metalloproteinase-9) |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloproteinase-3) |
Bioorg Med Chem Lett 12: 581-4 (2002)
BindingDB Entry DOI: 10.7270/Q2K64HCM |
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 | |