BDBM275052 US9878996, Compound 25

SMILES Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1

InChI Key InChIKey=VPDCBONBBAYCIG-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 = 275052   

TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

US Patent
LigandPNGBDBM275052(US9878996, Compound 25)
Affinity DataKi:  32nMAssay Description:Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM275052(US9878996, Compound 25)
Affinity DataKi:  125nMAssay Description:Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM275052(US9878996, Compound 25)
Affinity DataKi:  2.00E+3nMAssay Description:Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM275052(US9878996, Compound 25)
Affinity DataKi:  8.10E+3nMAssay Description:Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB