BDBM26525 (1S,2R)-1-N-hydroxy-2-({4-[(2-phenylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1,2-dicarboxamide::hydroxamate-cyclopropyl compound, 2
SMILES: NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO
InChI Key: InChIKey=BKHGWMSYWJIRLD-LXFBAYGMSA-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 |
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Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM26525 ((1S,2R)-1-N-hydroxy-2-({4-[(2-phenylquinolin-4-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant TACE | Bioorg Med Chem Lett 18: 5809-14 (2009) Article DOI: 10.1016/j.bmcl.2008.09.045 BindingDB Entry DOI: 10.7270/Q2N29WZX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
TNF-alpha-Converting Enzyme (Homo sapiens (Human)) | BDBM26525 ((1S,2R)-1-N-hydroxy-2-({4-[(2-phenylquinolin-4-yl)...) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.180 | -13.2 | n/a | n/a | n/a | n/a | n/a | 7.3 | 22 |
Schering-Plough Research Institute | Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ... | Bioorg Med Chem Lett 19: 54-7 (2009) Article DOI: 10.1016/j.bmcl.2008.11.034 BindingDB Entry DOI: 10.7270/Q2JH3JH7 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |