BDBM60921 isoquinoline

SMILES c1ccc2cnccc2c1

InChI Key InChIKey=AWJUIBRHMBBTKR-UHFFFAOYSA-N

Data  1 KI

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 60921   

TargetNAD(+) hydrolase SARM1(Human)TBA
LigandPNGBDBM60921(isoquinoline | US12338238, Example 48)
Affinity DataIC50: 1.00E+4nMAssay Description:The enzymatic assay was performed in a 384-well polypropylene plate in Dulbecco's PBS buffer in a final assay volume of 20 μL. SAM-TIR lysate wit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
US Patent

TargetNicotinamide N-methyltransferase(Human)
Utrecht University

LigandPNGBDBM60921(isoquinoline | US12338238, Example 48)
Affinity DataKi:  2.02E+8nM ΔG°:  -0.985kcal/molepH: 8.6 T: 2°CAssay Description:Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed