BDBM202648 US9242957, 64

SMILES [H]/N=C(\c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F

InChI Key InChIKey=DFFRHUPAEPPGQC-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 = 202648   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM202648(US9242957, 64)
Affinity DataKi:  73nMAssay Description:The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/28/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

US Patent
LigandPNGBDBM202648(US9242957, 64)
Affinity DataKi:  1.21E+4nMAssay Description:The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/28/2016
Entry Details
Go to US Patent

TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

US Patent
LigandPNGBDBM202648(US9242957, 64)
Affinity DataKi:  2.17E+4nMAssay Description:The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/28/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)