BDBM285693 US10077289, Compound 2::[(2S,3R,4R)-3-Hydroxy-4-methyl-2-(methylamino)-5-(1-(N-morpholino-ethyl)-1H-imidazol-2-yl)-pentanoic acid]1 [(R)-methyl-Sar]3 cyclosporin A

SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2CCN2CCOCC2)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=BVNGQTLDXUJFLO-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 285693   

LigandPNGBDBM285693(US10077289, Compound 2 | [(2S,3R,4R)-3-Hydroxy-4-m...)
Affinity DataIC50: 1.00E+4nMAssay 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
In DepthDetails
US Patent

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

US Patent
LigandPNGBDBM285693(US10077289, Compound 2 | [(2S,3R,4R)-3-Hydroxy-4-m...)
Affinity DataKi:  4.60nMpH: 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
In DepthDetails
US Patent