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BDBM50416137 CHEMBL1084215

SMILES: COc1ccc(c2ccccc12)S(=O)(=O)N1C[C@H](C(=O)N2CCCNCC2)c2ccccc12

InChI Key: InChIKey=VZJXKZSVPZSVOQ-NRFANRHFSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50416137   
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))
BDBM50416137
PNG
(CHEMBL1084215)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)N1C[C@H](C(=O)N2CCCNCC2)c2ccccc12 |r|
Show InChI InChI=1S/C25H27N3O4S/c1-32-23-11-12-24(20-9-3-2-8-19(20)23)33(30,31)28-17-21(18-7-4-5-10-22(18)28)25(29)27-15-6-13-26-14-16-27/h2-5,7-12,21,26H,6,13-17H2,1H3/t21-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel in HEK293 cells


Bioorg Med Chem Lett 20: 3713-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.085
BindingDB Entry DOI: 10.7270/Q2V69KV3
More data for this
Ligand-Target Pair