BDBM50071833 CHEMBL88559::{2-[3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-[1,4]diazepan-1-yl]-2-oxo-ethyl}-carbamic acid tert-butyl ester
SMILES: COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)CNC(=O)OC(C)(C)C
InChI Key: InChIKey=NAVKLAFIVRMQMW-UHFFFAOYSA-N
Data: 3 IC50
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-9 (Homo sapiens (Human)) | BDBM50071833 (CHEMBL88559 | {2-[3-Hydroxycarbamoyl-4-(4-methoxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-9 (MMP-9) | Bioorg Med Chem Lett 8: 2657-62 (1999) BindingDB Entry DOI: 10.7270/Q28K79KZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50071833 (CHEMBL88559 | {2-[3-Hydroxycarbamoyl-4-(4-methoxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-1 (MMP-1) | Bioorg Med Chem Lett 8: 2657-62 (1999) BindingDB Entry DOI: 10.7270/Q28K79KZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50071833 (CHEMBL88559 | {2-[3-Hydroxycarbamoyl-4-(4-methoxy-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-13 (MMP-13) | Bioorg Med Chem Lett 8: 2657-62 (1999) BindingDB Entry DOI: 10.7270/Q28K79KZ | |||||||||||
More data for this Ligand-Target Pair |