BDBM50330181 CHEMBL1269579::tert-butyl((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-((1R,2R)-1-hydroxy-2-methylhex-4-enyl)-5,8,23,29-tetraisobutyl-11,26-diisopropyl-4,7,10,13,19,22,28,32-octamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)methylcarbamate

SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)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](CNC(=O)OC(C)(C)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)CN(C)C1=O)C(C)C

InChI Key InChIKey=FBMBOYIAABAHBY-CRQDCTOPSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50330181   

TargetPeptidyl-prolyl cis-trans isomerase B(Homo sapiens (Human))
Scynexis

Curated by ChEMBL
LigandPNGBDBM50330181(CHEMBL1269579 | tert-butyl((2R,5S,8S,11S,14S,17S,2...)
Affinity DataIC50:  66.8nMAssay Description:Binding affinity to cyclophilin B by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Scynexis

Curated by ChEMBL
LigandPNGBDBM50330181(CHEMBL1269579 | tert-butyl((2R,5S,8S,11S,14S,17S,2...)
Affinity DataIC50:  83.5nMAssay Description:Binding affinity to cyclophilin A by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed