BDBM50111438 3-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methyl}-4-(2-imidazol-1-yl-pyrimidin-4-yl)-piperazine-1-carboxylic acid methyl ester::CHEMBL290548::N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-[(methoxy)carbonyl]-2-piperazineacetamide

SMILES COC(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1

InChI Key InChIKey=NVYMEDQKBQMAKF-UHFFFAOYSA-N

Data  1 KI  2 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 = 50111438   

TargetNitric oxide synthase, inducible(Human)
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM50111438(3-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methy...)
Affinity DataIC50: 0.380nMAssay 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
PubMed
TargetNitric oxide synthase, inducible(Human)
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM50111438(3-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methy...)
Affinity DataIC50: 0.600nMAssay Description:Inhibitory activity against the partially purified human Inducible nitric oxide synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Berlex Biosciences

Curated by ChEMBL
LigandPNGBDBM50111438(3-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methy...)
Affinity DataKi:  2.20nMAssay Description:Binding against the partially purified human Inducible nitric oxide synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed