BDBM50330883 CHEMBL1233715::CHEMBL1277952::N1-((3R,4S)-4-((6-aminopyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(4-fluorobenzyl)ethane-1,2-diamine tetrahydrochloride::US9090589, 8

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

InChI Key InChIKey=PUOKPLCASUFBAN-PXNSSMCTSA-N

Data  7 KI

PDB links: 2 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 7 hits for monomerid = 50330883   

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

US Patent
LigandPNGBDBM50330883(CHEMBL1233715 | CHEMBL1277952 | N1-((3R,4S)-4-((6-...)
Affinity DataKi:  17.7nMAssay 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, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330883(CHEMBL1233715 | CHEMBL1277952 | N1-((3R,4S)-4-((6-...)
Affinity DataKi:  19nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50330883(CHEMBL1233715 | CHEMBL1277952 | N1-((3R,4S)-4-((6-...)
Affinity DataKi:  1.50E+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
In DepthDetails US Patent
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330883(CHEMBL1233715 | CHEMBL1277952 | N1-((3R,4S)-4-((6-...)
Affinity DataKi:  1.89E+4nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM50330883(CHEMBL1233715 | CHEMBL1277952 | N1-((3R,4S)-4-((6-...)
Affinity DataKi:  5.34E+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, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330883(CHEMBL1233715 | CHEMBL1277952 | N1-((3R,4S)-4-((6-...)
Affinity DataKi:  1.61E+7nMAssay Description:Inhibition of rat recombinant nNOSMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50330883(CHEMBL1233715 | CHEMBL1277952 | N1-((3R,4S)-4-((6-...)
Affinity DataKi:  5.71E+7nMAssay Description:Inhibition of bovine recombinant eNOSMore data for this Ligand-Target Pair