BDBM50030542 CHEMBL3344495::US9566312, Compound 2.5.2

SMILES [H][C@@]1([C@H](C)CN2CCOCC2)N(C)C(=O)[C@@H](C)N(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)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C

InChI Key InChIKey=JGCVTFLICCNHDD-UWSHHPTNSA-N

Data  1 IC50  4 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50030542   

TargetPeptidyl-prolyl cis-trans isomerase F, mitochondrial(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50030542(CHEMBL3344495 | US9566312, Compound 2.5.2)
Affinity DataKd:  2.20nMpH: 7.4Assay Description:Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPeptidyl-prolyl cis-trans isomerase B(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50030542(CHEMBL3344495 | US9566312, Compound 2.5.2)
Affinity DataKd:  2.90nMpH: 7.4Assay Description:Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50030542(CHEMBL3344495 | US9566312, Compound 2.5.2)
Affinity DataKd:  4.30nMpH: 7.4Assay Description:Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro...More data for this Ligand-Target Pair
In DepthDetails US Patent