BDBM50205910 (3S)-methyl 4-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-3-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)-2-oxoethyl)piperazine-1-carboxylate::CHEMBL385324::methyl (3S)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate

SMILES COC(=O)N1CCN([C@@H](CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1

InChI Key InChIKey=NVYMEDQKBQMAKF-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 50205910   

TargetNitric oxide synthase, inducible(Human)
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM50205910(methyl (3S)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amin...)
Affinity DataIC50: 0.240nMAssay Description:Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)