Found 11 hits for monomerid = 92446 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Matrix metalloproteinase-12 (MMP12)
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| 2.5 | -11.7 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 127 | -9.40 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase 10
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 299 | -8.89 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 501 | -8.59 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 671 | -8.42 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | 3D Structure (docked) |
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 874 | -8.59 | n/a | n/a | n/a | n/a | n/a | 6.8 | 37 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14 (MMP14)
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 968 | -8.20 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 1.26E+3 | -8.04 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 2.23E+3 | -7.70 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 5.82E+3 | -7.14 | n/a | n/a | n/a | n/a | n/a | 6.8 | 25 |
Commissariat á l'Energie Atomique
| Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS. |
J Biol Chem 287: 26647-56 (2012)
Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase 12
(Homo sapiens (Human)) | BDBM92446
(Inhibitor, 16)Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |