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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.4
BDBM610916

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
Apelin


(Homo sapiens (Human))
BDBM610916
PNG
(US10626096, Example 29)
Show SMILES CCCCc1nnc(SCC(O)=O)n1-c1c(OC)cccc1OC |(5.28,4.62,;4.89,3.13,;3.4,2.73,;3,1.25,;1.51,.85,;.27,1.75,;-.98,.85,;-.5,-.62,;-1.59,-1.71,;-3.08,-1.31,;-4.17,-2.4,;-5.66,-2,;-3.77,-3.88,;1.04,-.62,;1.81,-1.95,;1.04,-3.29,;-.5,-3.29,;-1.27,-4.62,;1.81,-4.62,;3.35,-4.62,;4.12,-3.29,;3.35,-1.95,;4.12,-.62,;5.66,-.62,)|
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 812n/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2765KFM
More data for this
Ligand-Target Pair