BDBM50620571 CHEMBL5406729

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

InChI Key InChIKey=MBNBALAHMQJWSW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50620571   

TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620571BDBM50620571(CHEMBL5406729)
Affinity DataKi:  249nMAssay 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, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620571BDBM50620571(CHEMBL5406729)
Affinity DataKi:  369nMAssay 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, inducible(Human)
Northwestern University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620571BDBM50620571(CHEMBL5406729)
Affinity DataKi:  2.15E+4nMAssay 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