BDBM50030538 CHEMBL3344497::US9566312, Compound 2.5.18

SMILES [H][C@@]1([C@H](C)CN2CCC(F)(F)C2)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=GXYKQROUIHVBLB-DBMJAXCJSA-N

Data  1 IC50  4 Kd

  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 5 hits for monomerid = 50030538   

TargetPeptidyl-prolyl cis-trans isomerase A(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50030538(CHEMBL3344497 | US9566312, Compound 2.5.18)
Affinity DataKd:  4nMAssay Description:Binding affinity to human cyclophilin A by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50030538(CHEMBL3344497 | US9566312, Compound 2.5.18)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in CHO cells using 8-fluorescein-cAMP substrate by fluorescent photometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase F, mitochondrial(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50030538(CHEMBL3344497 | US9566312, Compound 2.5.18)
Affinity DataKd:  2nMpH: 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
LigandPNGBDBM50030538(CHEMBL3344497 | US9566312, Compound 2.5.18)
Affinity DataKd:  1.80nMpH: 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 Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50030538(CHEMBL3344497 | US9566312, Compound 2.5.18)
Affinity DataKd:  3.90nMpH: 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