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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50366823'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50366823
PNG
(Anzemet CINV | DOLASETRON)
Show SMILES O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 |r,wU:5.12,9.11,TLB:14:13:6.5:9.8,(4.69,-2.6,;3.35,-1.83,;2.02,-2.61,;.69,-1.83,;-.65,-2.59,;-1.98,-1.82,;-3.3,-2.59,;-4.63,-1.82,;-.65,-1.05,;-.64,.49,;.69,-.29,;-1.97,-.28,;-3.32,.49,;-4.63,-.28,;-5.97,.49,;3.35,-.29,;2.46,.96,;3.37,2.19,;4.83,1.71,;6.16,2.47,;7.49,1.7,;7.49,.15,;6.15,-.61,;4.82,.16,)|
Show InChI InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13-,14?/m1/s1
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n/an/a 5.95E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1


J Med Chem 45: 3844-53 (2002)


BindingDB Entry DOI: 10.7270/Q2NC61X3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50366823
PNG
(Anzemet CINV | DOLASETRON)
Show SMILES O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 |r,wU:5.12,9.11,TLB:14:13:6.5:9.8,(4.69,-2.6,;3.35,-1.83,;2.02,-2.61,;.69,-1.83,;-.65,-2.59,;-1.98,-1.82,;-3.3,-2.59,;-4.63,-1.82,;-.65,-1.05,;-.64,.49,;.69,-.29,;-1.97,-.28,;-3.32,.49,;-4.63,-.28,;-5.97,.49,;3.35,-.29,;2.46,.96,;3.37,2.19,;4.83,1.71,;6.16,2.47,;7.49,1.7,;7.49,.15,;6.15,-.61,;4.82,.16,)|
Show InChI InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13-,14?/m1/s1
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n/an/a 6.03E+3n/an/an/an/an/an/a



CASMedChem Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ERG in MCF7 cells


Eur J Med Chem 44: 1926-32 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.009
BindingDB Entry DOI: 10.7270/Q2TM7CCD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50366823
PNG
(Anzemet CINV | DOLASETRON)
Show SMILES O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 |r,wU:5.12,9.11,TLB:14:13:6.5:9.8,(4.69,-2.6,;3.35,-1.83,;2.02,-2.61,;.69,-1.83,;-.65,-2.59,;-1.98,-1.82,;-3.3,-2.59,;-4.63,-1.82,;-.65,-1.05,;-.64,.49,;.69,-.29,;-1.97,-.28,;-3.32,.49,;-4.63,-.28,;-5.97,.49,;3.35,-.29,;2.46,.96,;3.37,2.19,;4.83,1.71,;6.16,2.47,;7.49,1.7,;7.49,.15,;6.15,-.61,;4.82,.16,)|
Show InChI InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13-,14?/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique


Bioorg Med Chem 16: 6252-60 (2008)


Article DOI: 10.1016/j.bmc.2008.04.028
BindingDB Entry DOI: 10.7270/Q25D8T25
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50366823
PNG
(Anzemet CINV | DOLASETRON)
Show SMILES O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 |r,wU:5.12,9.11,TLB:14:13:6.5:9.8,(4.69,-2.6,;3.35,-1.83,;2.02,-2.61,;.69,-1.83,;-.65,-2.59,;-1.98,-1.82,;-3.3,-2.59,;-4.63,-1.82,;-.65,-1.05,;-.64,.49,;.69,-.29,;-1.97,-.28,;-3.32,.49,;-4.63,-.28,;-5.97,.49,;3.35,-.29,;2.46,.96,;3.37,2.19,;4.83,1.71,;6.16,2.47,;7.49,1.7,;7.49,.15,;6.15,-.61,;4.82,.16,)|
Show InChI InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13-,14?/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Reverse proteomics research institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potassium channel HERG


Bioorg Med Chem Lett 15: 2886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.080
BindingDB Entry DOI: 10.7270/Q29S1S7C
More data for this
Ligand-Target Pair