BDBM50620569 CHEMBL5418233

SMILES CCN(CC)CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1

InChI Key InChIKey=VTBBOQXEUODKIN-UHFFFAOYSA-N

Data  4 KI

PDB links: 3 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50620569   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50620569(CHEMBL5418233)
Affinity DataKi:  35nMAssay Description:Inhibition of rat nNOS expressed in Escherichia coli using human oxyhemoglobin by hemoglobin (Hb) NO capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50620569(CHEMBL5418233)
Affinity DataKi:  54nMAssay Description:Inhibition of human nNOS expressed in Escherichia coli using human oxyhemoglobin by hemoglobin (Hb) NO capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50620569(CHEMBL5418233)
Affinity DataKi:  4.21E+3nMAssay Description:Inhibition of human iNOS expressed in Escherichia coli using human oxyhemoglobin by hemoglobin (Hb) NO capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50620569(CHEMBL5418233)
Affinity DataKi:  4.64E+4nMAssay Description:Inhibition of human eNOS expressed in Escherichia coli using human oxyhemoglobin by hemoglobin (Hb) NO capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)