BDBM50323714 CHEMBL1213206::CHEMBL1213210::N-(4-((Z)-(4-(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)acetamido)phenyl)diazenyl)phenyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

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=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)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=DRYOHQIGNKGEAS-STSUPSDUSA-N

Data  5 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 5 hits for monomerid = 50323714   

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

Curated by ChEMBL
LigandPNGBDBM50323714(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...)
Affinity DataIC50:  950nMAssay Description:Binding affinity to cyclophilin 18 assessed as reduction in [33P]phosphatase activity of calcineurin 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
LigandPNGBDBM50323714(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...)
Affinity DataIC50:  135nMAssay 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
TargetProtein phosphatase 3 catalytic subunit alpha(Homo sapiens (Human))
Max Planck Research Unit For Enzymology Of Protein Folding

Curated by ChEMBL
LigandPNGBDBM50323714(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of calcineurin-mediated streptavidin-coupled NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light ...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
LigandPNGBDBM50323714(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...)
Affinity DataIC50:  1.64E+4nMAssay Description:Inhibition of calcineurin-mediated streptavidin-coupled NFAT activation in human Jurkat cells by luciferase reporter gene 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
LigandPNGBDBM50323714(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...)
Affinity DataIC50:  89nMAssay 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