BDBM50010420 CHEMBL325119::[4-(3-{1-[(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-cyclohexylmethyl-2-hydroxy-propylcarbamoyl)-1-benzyl-2-oxo-butyl]-carbamic acid tert-butyl ester

SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N

InChI Key InChIKey=KICXJEMGCUTKSB-UHFFFAOYSA-N

Data  3 IC50

  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 = 50010420   

TargetRenin(Human)
E. Merck Darmstadt

Curated by ChEMBL
LigandPNGBDBM50010420(CHEMBL325119 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Affinity DataIC50: 8.5nMAssay Description:Compound was tested in vitro for inhibitory activity against human reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetPepsin A(Pig)
E. Merck Darmstadt

Curated by ChEMBL
LigandPNGBDBM50010420(CHEMBL325119 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Affinity DataIC50: 1.00E+4nMAssay Description:In vitro inhibitory activity against porcine Pepsin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetCathepsin D(Bovine)
E. Merck Darmstadt

Curated by ChEMBL
LigandPNGBDBM50010420(CHEMBL325119 | [4-(3-{1-[(4-Amino-2-methyl-pyrimid...)
Affinity DataIC50: 1.00E+4nMAssay Description:In vitro inhibitory activity against bovine Cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed