BDBM50449044 CHEMBL3126211::US9212144, 9 (Ex. 9)

SMILES Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1

InChI Key InChIKey=QIPUHKWELQSESM-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 6 hits for monomerid = 50449044   

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

US Patent
LigandPNGBDBM50449044(CHEMBL3126211 | US9212144, 9 (Ex. 9))
Affinity DataKi:  60nMpH: 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, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM50449044(CHEMBL3126211 | US9212144, 9 (Ex. 9))
Affinity DataKi:  60nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

US Patent
LigandPNGBDBM50449044(CHEMBL3126211 | US9212144, 9 (Ex. 9))
Affinity DataKi:  3.69E+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, endothelial(Bos taurus (bovine))
Northwestern University

US Patent
LigandPNGBDBM50449044(CHEMBL3126211 | US9212144, 9 (Ex. 9))
Affinity DataKi:  3.69E+3nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50449044(CHEMBL3126211 | US9212144, 9 (Ex. 9))
Affinity DataKi:  3.23E+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
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

US Patent
LigandPNGBDBM50449044(CHEMBL3126211 | US9212144, 9 (Ex. 9))
Affinity DataKi:  3.23E+4nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed