BDBM50255365 (+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(3-fluorophenethyl)ethane-1,2-diamine::CHEMBL1277870::CHEMBL480419::N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine::N1-{(+/-)-4''-[(6''''-amino-4''''-methylpyridin-2''''-yl)methyl]pyrrolidin-3-yl}-N2-(3''-fluorophenethyl)ethane-1,2-diamine

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

InChI Key InChIKey=PUOKPLCASUFBAN-UHFFFAOYSA-N

Data  19 KI  3 IC50

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 22 hits for monomerid = 50255365   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of rat nNOS expressed in HEK293T cells preincubated for 30 mins prior A23187-induced activation measured after 6 hrs by Griess assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataIC50: 450nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of nNOS expressed in human 293T cells assessed as nitrite formation after 8 hrs by Griess reactionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  5nMAssay Description:Inhibition of rat nNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  14nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as nitric oxide formation by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  14nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  14nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, brain(Mouse)
Flinders University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  52nMAssay Description:Inhibition of recombinant mouse nNOS overexpressed in Escherichia coli assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  52nMAssay Description:Inhibition of nNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  70nMAssay Description:Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  3.90E+3nMAssay Description:Inhibition of iNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as nitric oxide formation by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  4.06E+3nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  4.06E+3nMAssay Description:Inhibition of rat recombinant nNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  2.60E+4nMAssay Description:Inhibition of eNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Mouse)
Flinders University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  2.64E+4nMAssay Description:Inhibition of recombinant mouse eNOS overexpressed in Escherichia coli assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  2.80E+4nMAssay Description:Inhibition of bovine recombinant eNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  2.80E+4nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  2.80E+4nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli assessed as nitric oxide formation by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  5.22E+4nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  3.85E+6nMAssay Description:Inhibition of rat recombinant nNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50255365(CHEMBL1277870 | (+/-)-cis-N1-((3S,4S)-4-((6-amino-...)
Affinity DataKi:  2.64E+7nMAssay Description:Inhibition of bovine recombinant eNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)