BDBM50118067 CHEMBL126888::N-{1-[(Ethoxy-{2-[1-(4-nitro-phenylcarbamoyl)-2-phenyl-ethylcarbamoyl]-pyrrolidin-1-yl}-phosphinoylmethyl)-carbamoyl]-ethyl}-succinamic acid

SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(=O)CCC(O)=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=KYQSRUIDADOUMM-UHFFFAOYSA-N

Data  2 IC50  2 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 4 hits for monomerid = 50118067   

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

Curated by ChEMBL
LigandPNGBDBM50118067(N-{1-[(Ethoxy-{2-[1-(4-nitro-phenylcarbamoyl)-2-ph...)
Affinity DataIC50: 1.50E+4nMAssay 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 Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Departement D'Ingenierie Et D'Etudes Des Proteines

Curated by ChEMBL
LigandPNGBDBM50118067(N-{1-[(Ethoxy-{2-[1-(4-nitro-phenylcarbamoyl)-2-ph...)
Affinity DataKd:  2.00E+4nMAssay Description:The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomeraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Departement D'Ingenierie Et D'Etudes Des Proteines

Curated by ChEMBL
LigandPNGBDBM50118067(N-{1-[(Ethoxy-{2-[1-(4-nitro-phenylcarbamoyl)-2-ph...)
Affinity DataKd:  2.00E+4nMAssay Description:The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomeraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase FKBP4(Human)
Departement D'Ingenierie Et D'Etudes Des Proteines

Curated by ChEMBL
LigandPNGBDBM50118067(N-{1-[(Ethoxy-{2-[1-(4-nitro-phenylcarbamoyl)-2-ph...)
Affinity DataIC50: 1.50E+4nMAssay 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 Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed