BDBM50130099 4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-4-hydroxycarbamoyl-butyryl}-piperazine-1-carboxylic acid ethyl ester::CHEMBL80486
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
InChI Key: InChIKey=XHLWYEWXYHRDQW-JOCHJYFZSA-N
Data: 3 KI
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)) | BDBM50130099 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) | 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 |
CombiChem Inc. Curated by ChEMBL | Assay Description Inhibition of MMP-8 | Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bone morphogenetic protein 1 (Homo sapiens (Human)) | BDBM50130099 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc. Curated by ChEMBL | Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro | Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50130099 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CombiChem Inc. Curated by ChEMBL | Assay Description Inhibition of matrix metalloproteinase-1 | Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8 | |||||||||||
More data for this Ligand-Target Pair |