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BDBM50214371 24-{[(4-{[2-(4-methanesulfonamidophenoxy)ethyl][2-(4-methanesulfonamidophenyl)ethyl]amino}butyl)carbamoyl]methyl}-5,5,27,27-tetramethyl-16-oxa-12,20-diazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{6,11}.0^{20,28}.0^{21,26}]octacosa-1(28),2,4(12),6(11),7,9,21(26),22,24-nonaen-12-ylium-8-sulfonate::CHEMBL390302

SMILES: CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12

InChI Key: InChIKey=BDFWMNKZVIBRAQ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214371   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50214371
PNG
(24-{[(4-{[2-(4-methanesulfonamidophenoxy)ethyl][2-...)
Show SMILES CC1(C)C2=C3C=C4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.30,7.27,c:3,5,10|
Show InChI InChI=1S/C53H64N6O10S3/c1-52(2)43-31-36(11-19-45(43)58-27-22-47-41(50(52)58)34-42-48(69-47)23-28-59-46-20-18-40(72(65,66)67)33-44(46)53(3,4)51(42)59)32-49(60)54-24-7-8-25-57(26-21-35-9-12-37(13-10-35)55-70(5,61)62)29-30-68-39-16-14-38(15-17-39)56-71(6,63)64/h9-20,31,33-34,47-48,55-56H,7-8,21-30,32H2,1-6H3,(H-,54,60,65,66,67)
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18n/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