BDBM285728 US10077289, Compound 36::[(2S,3R,4R)-3-Hydroxy-4-methyl-2-(methylamino)-6-(pyrimidin-2-yloxy)-hexanoic acid]1 cyclosporin A

SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCOc2ncccn2)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C

InChI Key InChIKey=GPFMVNBJTPRJJI-SONQPWHASA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 285728   

TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Allergan

US Patent
LigandPNGBDBM285728(US10077289, Compound 36 | [(2S,3R,4R)-3-Hydroxy-4-...)
Affinity DataKi:  7.70nMpH: 7.8Assay Description:The protease-free PPIase assay measures the rate of cis to trans conversion of a peptide substrate catalyzed by the enzyme cyclophilin A. Addition of...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
LigandPNGBDBM285728(US10077289, Compound 36 | [(2S,3R,4R)-3-Hydroxy-4-...)
Affinity DataIC50:  128nMAssay Description:Enzo Life Sciences CaN Assay Kit: BML-AK8042x assay buffer: 100 mM Tris, pH7.5, 200 mM NaCl, 12 mM MgCl2, 1 mM DTT, 0.05% NP-40, 1 mM CaCl2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent