BDBM152715 6-[2-(3-{cyclopropyl[2-(methylamino)ethyl]amino}-5-fluorophenyl)ethyl]-4-methylpyridin-2-amine (18)::US9951014, Name 23e

SMILES CNCCN(C1CC1)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1

InChI Key InChIKey=CZBLKBKVAIKTJH-UHFFFAOYSA-N

Data  3 KI  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 152715   

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

US Patent
LigandPNGBDBM152715(6-[2-(3-{cyclopropyl[2-(methylamino)ethyl]amino}-5...)
Affinity DataKi:  56nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM152715(6-[2-(3-{cyclopropyl[2-(methylamino)ethyl]amino}-5...)
Affinity DataKi:  7.89E+3nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM152715(6-[2-(3-{cyclopropyl[2-(methylamino)ethyl]amino}-5...)
Affinity DataKi:  8.33E+3nMAssay Description:The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetNitric oxide synthase oxygenase(Bacillus subtilis (Firmicutes))
University of California Irvine

LigandPNGBDBM152715(6-[2-(3-{cyclopropyl[2-(methylamino)ethyl]amino}-5...)
Affinity DataKd:  6.21E+4nMAssay Description:In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB