BDBM50102610 10-Isobutyl-6,11-dioxo-6,7,9,10,11,12,13,14-octahydro-5H-8-oxa-15-thia-5,12-diaza-benzocyclotridecene-9,13-dicarboxylic acid 9-hydroxyamide 13-methylamide::CHEMBL329124
SMILES: CNC(=O)[C@@H]1CSc2ccccc2NC(=O)CO[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO
InChI Key: InChIKey=ZYKFUWMGGKBBNJ-IFIJOSMWSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Interstitial collagenase (Homo sapiens (Human)) | BDBM50102610 (10-Isobutyl-6,11-dioxo-6,7,9,10,11,12,13,14-octahy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description In vitro inhibition of human MMP-1. | J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50102610 (10-Isobutyl-6,11-dioxo-6,7,9,10,11,12,13,14-octahy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Inhibition of human MMP-3. | J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM50102610 (10-Isobutyl-6,11-dioxo-6,7,9,10,11,12,13,14-octahy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Inhibition of LPS-stimulated TNF-alpha release in human whole blood | J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR | |||||||||||
More data for this Ligand-Target Pair |