BDBM50366041 CHEMBL1956738::US8927730, 3a

SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2F)c1

InChI Key InChIKey=PMZVISPCVPVOFN-UHFFFAOYSA-N

Data  6 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50366041   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366041(US8927730, 3a | CHEMBL1956738)
Affinity DataIC50: 3.60E+3nMAssay 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(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366041(US8927730, 3a | CHEMBL1956738)
Affinity DataIC50: 1.10E+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
LigandPNGBDBM50366041(US8927730, 3a | CHEMBL1956738)
Affinity DataKi:  410nM ΔG°:  -9.06kcal/mole IC50: 3.60E+3nMpH: 7.4 T: 2°CAssay Description:The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50366041(US8927730, 3a | CHEMBL1956738)
Affinity DataKi:  410nMAssay 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, endothelial(Bovine)
Northwestern University

US Patent
LigandPNGBDBM50366041(US8927730, 3a | CHEMBL1956738)
Affinity DataKi:  4.00E+4nM ΔG°:  -6.24kcal/molepH: 7.4 T: 2°CAssay Description:The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

US Patent
LigandPNGBDBM50366041(US8927730, 3a | CHEMBL1956738)
Affinity DataKi:  4.00E+4nMAssay Description:Inhibition of recombinant bovine eNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

US Patent
LigandPNGBDBM50366041(US8927730, 3a | CHEMBL1956738)
Affinity DataKi:  4.40E+4nM ΔG°:  -6.18kcal/molepH: 7.4 T: 2°CAssay Description:The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

US Patent
LigandPNGBDBM50366041(US8927730, 3a | CHEMBL1956738)
Affinity DataKi:  4.40E+4nMAssay Description:Inhibition of recombinant mouse iNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed