BDBM50449045 CHEMBL3126210::US9212144, 8 (Ex. 21)

SMILES Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1

InChI Key InChIKey=ZCQVAHWJMSLTRU-UHFFFAOYSA-N

Data  6 KI

PDB links: 2 PDB IDs match 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 3 hits for monomerid = 50449045   

TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM50449045(CHEMBL3126210 | US9212144, 8 (Ex. 21))
Affinity DataKi:  164nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

US Patent
LigandPNGBDBM50449045(CHEMBL3126210 | US9212144, 8 (Ex. 21))
Affinity DataKi:  7.25E+3nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50449045(CHEMBL3126210 | US9212144, 8 (Ex. 21))
Affinity DataKi:  3.19E+4nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
In DepthDetails US Patent