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BDBM50214369 24-{[(5-{[2-(4-methanesulfonamidophenoxy)ethyl][2-(4-methanesulfonamidophenyl)ethyl]amino}pentyl)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::CHEMBL226743

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

InChI Key: InChIKey=CIRKXNIDZDUEQN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214369   
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))
BDBM50214369
PNG
(24-{[(5-{[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)NCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.28,7.27,c:3,5,10|
Show InChI InChI=1S/C54H66N6O10S3/c1-53(2)44-32-37(12-20-46(44)59-28-23-48-42(51(53)59)35-43-49(70-48)24-29-60-47-21-19-41(73(66,67)68)34-45(47)54(3,4)52(43)60)33-50(61)55-25-8-7-9-26-58(27-22-36-10-13-38(14-11-36)56-71(5,62)63)30-31-69-40-17-15-39(16-18-40)57-72(6,64)65/h10-21,32,34-35,48-49,56-57H,7-9,22-31,33H2,1-6H3,(H-,55,61,66,67,68)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
13n/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