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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Egl nine homolog 1' and Ligand = 'BDBM242572'   
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM242572
PNG
(US9422240, 1-393)
Show SMILES Cc1ccc(Oc2ncc(CN3CCC(O)=C(C(=O)NCC(O)=O)C3=O)cc2F)cc1 |t:15|
Show InChI InChI=1S/C21H20FN3O6/c1-12-2-4-14(5-3-12)31-20-15(22)8-13(9-24-20)11-25-7-6-16(26)18(21(25)30)19(29)23-10-17(27)28/h2-5,8-9,26H,6-7,10-11H2,1H3,(H,23,29)(H,27,28)
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 32n/an/an/an/a7.5n/a



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The enzyme and the substrate were each diluted with a 50 mM tris-hydrochloric acid buffer (pH 7.5) containing 12.5 mM KCl, 3.75 mM MgCl2, 25 μM ...


US Patent US9422240 (2016)


BindingDB Entry DOI: 10.7270/Q24B307K
More data for this
Ligand-Target Pair