BindingDB logo
myBDB logout

BDBM50390902 CHEMBL2070996

SMILES: CC(C)c1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1

InChI Key: InChIKey=ADSSVNAXCSTXMN-HSZRJFAPSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50390902   
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
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50390902
PNG
(CHEMBL2070996)
Show SMILES CC(C)c1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 |r|
Show InChI InChI=1S/C25H29N3O3S2/c1-17(2)19-9-11-20(12-10-19)22-16-32-25(26-22)27-24(29)23-6-4-5-15-28(23)33(30,31)21-13-7-18(3)8-14-21/h7-14,16-17,23H,4-6,15H2,1-3H3,(H,26,27,29)/t23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay


Bioorg Med Chem Lett 22: 5936-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.060
BindingDB Entry DOI: 10.7270/Q25T3MKN
More data for this
Ligand-Target Pair