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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 = 'BDBM242577'   
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))
BDBM242577
PNG
(US9422240, 1-443)
Show SMILES OC(=O)CNC(=O)C1=C(O)CCN(Cc2cnc(Oc3ccc(cc3)C3CC3)cn2)C1=O |c:7|
Show InChI InChI=1S/C22H22N4O6/c27-17-7-8-26(22(31)20(17)21(30)25-11-19(28)29)12-15-9-24-18(10-23-15)32-16-5-3-14(4-6-16)13-1-2-13/h3-6,9-10,13,27H,1-2,7-8,11-12H2,(H,25,30)(H,28,29)
PDB
MMDB

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PC sid
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US Patent
n/an/a 21n/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