BDBM50620566 CHEMBL5428041

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

InChI Key InChIKey=MITAAJQUUVCYOR-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
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 3 hits for monomerid = 50620566   

TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620566BDBM50620566(CHEMBL5428041)
Affinity DataKi:  55nMAssay 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 50620566BDBM50620566(CHEMBL5428041)
Affinity DataKi:  75nMAssay 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
PubMed
TargetNitric oxide synthase, inducible(Human)
Northwestern University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620566BDBM50620566(CHEMBL5428041)
Affinity DataKi:  4.98E+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