BDBM275046 US9878996, Compound 3

SMILES Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1

InChI Key InChIKey=YCRYBRYYCUMKOD-UHFFFAOYSA-N

Data  3 KI

PDB links: 2 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 3 hits for monomerid = 275046   

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

US Patent
LigandPNGBDBM275046(US9878996, Compound 3)
Affinity DataKi:  370nMAssay 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
LigandPNGBDBM275046(US9878996, Compound 3)
Affinity DataKi:  6.40E+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
LigandPNGBDBM275046(US9878996, Compound 3)
Affinity DataKi:  4.00E+4nMAssay 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