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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50214372'   
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))
BDBM50214372
PNG
(24-{[(6-{[2-(4-methanesulfonamidophenoxy)ethyl][2-...)
Show SMILES CC1(C)C2=C3CC4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.28,6.5,7.27,c:3,10|
Show InChI InChI=1S/C55H70N6O10S3/c1-54(2)45-33-38(13-21-47(45)60-29-24-49-43(52(54)60)36-44-50(71-49)25-30-61-48-22-20-42(74(67,68)69)35-46(48)55(3,4)53(44)61)34-51(62)56-26-9-7-8-10-27-59(28-23-37-11-14-39(15-12-37)57-72(5,63)64)31-32-70-41-18-16-40(17-19-41)58-73(6,65)66/h11-22,33,35,44,49-50,57-58H,7-10,23-32,34,36H2,1-6H3,(H-,56,62,67,68,69)
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PC cid
PC sid
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cells by SPA


J Med Chem 50: 2931-41 (2007)


Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50214372
PNG
(24-{[(6-{[2-(4-methanesulfonamidophenoxy)ethyl][2-...)
Show SMILES CC1(C)C2=C3CC4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.28,6.5,7.27,c:3,10|
Show InChI InChI=1S/C55H70N6O10S3/c1-54(2)45-33-38(13-21-47(45)60-29-24-49-43(52(54)60)36-44-50(71-49)25-30-61-48-22-20-42(74(67,68)69)35-46(48)55(3,4)53(44)61)34-51(62)56-26-9-7-8-10-27-59(28-23-37-11-14-39(15-12-37)57-72(5,63)64)31-32-70-41-18-16-40(17-19-41)58-73(6,65)66/h11-22,33,35,44,49-50,57-58H,7-10,23-32,34,36H2,1-6H3,(H-,56,62,67,68,69)
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n/an/a 310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Blockade of hERG expressed in HEK293 cells by whole-cell patch clamp method


J Med Chem 50: 2931-41 (2007)


Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2
More data for this
Ligand-Target Pair