BDBM50101701 Bisubstrate Analogue::[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3S)-3-hydroxy-3-({2-[(2-{[(1E)-6-(1H-indol-3-yl)-3-oxohex-1-en-1-yl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl] phosphate

SMILES CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@H](O)C(=O)NCCC(=O)NCCSC=CC(=O)CCCc1c[nH]c2ccccc12

InChI Key InChIKey=FQVHBPCJHCPLRT-UHFFFAOYSA-L

Data  1 KI

  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 1 hit for monomerid = 50101701   

TargetSerotonin N-acetyltransferase(Sheep)
Johns Hopkins University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50101701([5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy(...)
Affinity DataKi:  3.99E+4nMAssay Description:Inhibition of serotonin N-acetyl-transferaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed