null
SMILES: OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)c1ccccc1
InChI Key: InChIKey=IPBPOBHSNJFRFT-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50028939 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 |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50028939
(CHEMBL1231240)Show SMILES OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)c1ccccc1 |r,c:15| Show InChI InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP8 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50028939
(CHEMBL1231240)Show SMILES OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)c1ccccc1 |r,c:15| Show InChI InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad CEU San Pablo
Curated by ChEMBL
| Assay Description Inhibition of MMP3 (unknown origin) |
J Med Chem 57: 10205-19 (2014)
Article DOI: 10.1021/jm500505f BindingDB Entry DOI: 10.7270/Q2NK3GMC |
More data for this Ligand-Target Pair | |