BDBM50499073 CHEMBL3736445

SMILES CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1

InChI Key InChIKey=RSUBEKFHYBPGDT-UHFFFAOYSA-N

Data  4 KI

PDB links: 4 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 = 50499073   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50499073(CHEMBL3736445)
Affinity DataKi:  283nMAssay Description:Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50499073(CHEMBL3736445)
Affinity DataKi:  1.08E+3nMAssay Description:Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50499073(CHEMBL3736445)
Affinity DataKi:  3.14E+4nMAssay Description:Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50499073(CHEMBL3736445)
Affinity DataKi:  1.17E+5nMAssay Description:Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed