BDBM50002580 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(tetrahydro-pyran-2-ylmethyl) ester 5-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl) ester::CHEMBL80501

SMILES CC1=NC(C)=C(C(C1=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1[N+]([O-])=O)C(=[OH+])OCC1CCCCO1

InChI Key InChIKey=VGHWATKVSWORPV-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50002580   

LigandPNGBDBM50002580(CHEMBL80501 | 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-...)
Affinity DataIC50: 25nMAssay Description:Blockade of calcium-evoked contractions in depolarized aortic stripsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed