BDBM50323713 (E/Z)-(R,S,S,S,S,S,R,R,S,S,S,S)-N,N'-(4,4'-(diazene-1,2-diyl)bis(4,1-phenylene))bis(2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-((1R,2R,E)-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)methoxy)acetamide)::(R,S,S,S,S,S,R,R,S,S,S,S,E)-N,N'-(4,4'-((E)-diazene-1,2-diyl)bis(4,1-phenylene))bis(2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-((1R,2R,E)-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)methoxy)acetamide)::CHEMBL1213205

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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccc(NC(=O)COC[C@H]3NC(=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)C(=O)[C@H](CC)NC(=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)C3=O)C(C)C)cc2)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=RCKLAOJYIUCSKW-DMSAQNSPSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50323713   

TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Max Planck Research Unit For Enzymology Of Protein Folding

Curated by ChEMBL
LigandPNGBDBM50323713((E/Z)-(R,S,S,S,S,S,R,R,S,S,S,S)-N,N'-(4,4'-(diazen...)
Affinity DataIC50:  206nMAssay Description:Inhibition of PPIase activity of cyclophilin 18 by protease coupled assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein phosphatase 3 catalytic subunit alpha(Homo sapiens (Human))
Max Planck Research Unit For Enzymology Of Protein Folding

Curated by ChEMBL
LigandPNGBDBM50323713((E/Z)-(R,S,S,S,S,S,R,R,S,S,S,S)-N,N'-(4,4'-(diazen...)
Affinity DataIC50:  140nMAssay Description:Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light by luciferase reporte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein phosphatase 3 catalytic subunit alpha(Homo sapiens (Human))
Max Planck Research Unit For Enzymology Of Protein Folding

Curated by ChEMBL
LigandPNGBDBM50323713((E/Z)-(R,S,S,S,S,S,R,R,S,S,S,S)-N,N'-(4,4'-(diazen...)
Affinity DataIC50:  358nMAssay Description:Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Max Planck Research Unit For Enzymology Of Protein Folding

Curated by ChEMBL
LigandPNGBDBM50323713((E/Z)-(R,S,S,S,S,S,R,R,S,S,S,S)-N,N'-(4,4'-(diazen...)
Affinity DataIC50:  487nMAssay Description:Binding affinity to cyclophilin 18 assessed as reduction in calcineurin activity by protease coupled assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed