Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50039031 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Stromelysin-1
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Binding affinity to stromelysin-1 catalytic domain |
Bioorg Med Chem Lett 20: 280-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM8466
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/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
| n/a | n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Binding affinity to stromelysin-1 catalytic domain |
Bioorg Med Chem Lett 20: 280-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50096645
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Binding affinity to stromelysin-1 catalytic domain |
Bioorg Med Chem Lett 20: 280-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50305115
(5-(4'-cyanobiphenyl-4-yloxy)-N-hydroxypentanamide ...)Show InChI InChI=1S/C18H18N2O3/c19-13-14-4-6-15(7-5-14)16-8-10-17(11-9-16)23-12-2-1-3-18(21)20-22/h4-11,22H,1-3,12H2,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry |
Bioorg Med Chem Lett 20: 280-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry |
Bioorg Med Chem Lett 20: 280-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM8466
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/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
| n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry |
Bioorg Med Chem Lett 20: 280-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50096645
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry |
Bioorg Med Chem Lett 20: 280-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50305115
(5-(4'-cyanobiphenyl-4-yloxy)-N-hydroxypentanamide ...)Show InChI InChI=1S/C18H18N2O3/c19-13-14-4-6-15(7-5-14)16-8-10-17(11-9-16)23-12-2-1-3-18(21)20-22/h4-11,22H,1-3,12H2,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Binding affinity to stromelysin-1 catalytic domain |
Bioorg Med Chem Lett 20: 280-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN |
More data for this Ligand-Target Pair | |