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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 371.3
BDBM474342

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polymerase acidic protein


()
BDBM474342
PNG
(6-benzhydryl-11-hydroxy-5,6-dihydro-10H- [1,2,4]tr...)
Show SMILES Oc1c2-c3ncnn3CC(C(c3ccccc3)c3ccccc3)n2ncc1=O
Show InChI InChI=1S/C21H17N5O2/c27-17-11-23-26-16(12-25-21(22-13-24-25)19(26)20(17)28)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,16,18,28H,12H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 400n/an/an/an/an/an/a


TBA

Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S8G
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474342
PNG
(6-benzhydryl-11-hydroxy-5,6-dihydro-10H- [1,2,4]tr...)
Show SMILES Oc1c2-c3ncnn3CC(C(c3ccccc3)c3ccccc3)n2ncc1=O
Show InChI InChI=1S/C21H17N5O2/c27-17-11-23-26-16(12-25-21(22-13-24-25)19(26)20(17)28)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,16,18,28H,12H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)


BindingDB Entry DOI: 10.7270/Q2KH0RDJ
More data for this
Ligand-Target Pair