BDBM50330882 CHEMBL1277951::CHEMBL594682::N1-((3R,4R)-4-((6-aminopyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(4-fluorobenzyl)ethane-1,2-diamine tetrahydrochloride::US9090589, 1::US9212144, 1::US9783500, Compound 2

SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1

InChI Key InChIKey=PUOKPLCASUFBAN-XLIONFOSSA-N

Data  32 KI  1 IC50

PDB links: 3 PDB IDs match 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 5 hits for monomerid = 50330882   

TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330882(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of eNOSMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

US Patent
LigandPNGBDBM50330882(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Affinity DataKi:  2.80E+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
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

US Patent
LigandPNGBDBM50330882(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Affinity DataKi:  2.80E+4nMAssay 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
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330882(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Affinity DataKi:  2.80E+4nMAssay Description:Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

US Patent
LigandPNGBDBM50330882(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Affinity DataKi:  2.03E+7nMAssay Description:Inhibition of bovine recombinant eNOSMore data for this Ligand-Target Pair