BDBM50250579 CHEMBL4103382

SMILES Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC

InChI Key InChIKey=CUTMJYPBBFYFJH-UHFFFAOYSA-N

Data  4 KI

PDB links: 2 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 4 hits for monomerid = 50250579   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50250579(CHEMBL4103382)
Affinity DataKi:  48nMAssay Description:Inhibition of rat neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50250579(CHEMBL4103382)
Affinity DataKi:  55nMAssay Description:Inhibition of human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50250579(CHEMBL4103382)
Affinity DataKi:  3.61E+3nMAssay Description:Inhibition of mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50250579(CHEMBL4103382)
Affinity DataKi:  2.01E+4nMAssay Description:Inhibition of human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2019
Entry Details Article
PubMed