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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 353.3
BDBM94697
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94697
PNG
(2-(2-furanyl)-6-[2-oxo-2-(1-piperidinyl)ethoxy]-1-...)
Show SMILES O=C(COc1ccc2oc(cc(=O)c2c1)-c1ccco1)N1CCCCC1
Show InChI InChI=1S/C20H19NO5/c22-16-12-19(18-5-4-10-24-18)26-17-7-6-14(11-15(16)17)25-13-20(23)21-8-2-1-3-9-21/h4-7,10-12H,1-3,8-9,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.85E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N82
More data for this
Ligand-Target Pair