BDBM50087877 CHEMBL298712::N-[1-(1-Methyl-2-{2-[1-(4-nitro-phenylcarbamoyl)-2-phenyl-ethylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylcarbamoyl)-ethyl]-succinamic acid

SMILES C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=LKDMKWNDBAVNQZ-WJNSRDFLSA-N

Data  2 IC50  1 Kd

  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 3 hits for monomerid = 50087877   

TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Departement D'Ingenierie Et D'Etudes Des Proteines

Curated by ChEMBL
LigandPNGBDBM50087877(CHEMBL298712 | N-[1-(1-Methyl-2-{2-[1-(4-nitro-phe...)
Affinity DataIC50:  8.50E+5nMAssay Description:50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Departement D'Ingenierie Et D'Etudes Des Proteines

Curated by ChEMBL
LigandPNGBDBM50087877(CHEMBL298712 | N-[1-(1-Methyl-2-{2-[1-(4-nitro-phe...)
Affinity DataKd:  1.35E+5nMAssay Description:The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomeraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Departement D'Ingenierie Et D'Etudes Des Proteines

Curated by ChEMBL
LigandPNGBDBM50087877(CHEMBL298712 | N-[1-(1-Methyl-2-{2-[1-(4-nitro-phe...)
Affinity DataIC50:  5.40E+5nMAssay Description:Inhibitory activity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase by using the standard trypsin-coupled PPIase (peptidyl-prolyl isomera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed