BDBM50266588 CHEMBL4068739

SMILES CCc1cc(CNC)cc(OCc2ccc3ccc(N)nc3c2)c1

InChI Key InChIKey=OCTNSHZDWVJCQD-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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50266588   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50266588(CHEMBL4068739)
Affinity DataKi:  54nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50266588(CHEMBL4068739)
Affinity DataKi:  125nMAssay Description:Inhibition of recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50266588(CHEMBL4068739)
Affinity DataKi:  4.07E+4nMAssay Description:Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50266588(CHEMBL4068739)
Affinity DataKi:  4.30E+4nMAssay Description:Inhibition of recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)