BindingDB logo
myBDB logout

BDBM50390895 CHEMBL2070988

SMILES: COc1ccc(cc1)-c1csc(NC(=O)C2CSCCN2S(=O)(=O)c2ccc(C)cc2)n1

InChI Key: InChIKey=LCDJDIULAZKOHC-UHFFFAOYSA-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 = 50390895   
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))
BDBM50390895
PNG
(CHEMBL2070988)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)C2CSCCN2S(=O)(=O)c2ccc(C)cc2)n1
Show InChI InChI=1S/C22H23N3O4S3/c1-15-3-9-18(10-4-15)32(27,28)25-11-12-30-14-20(25)21(26)24-22-23-19(13-31-22)16-5-7-17(29-2)8-6-16/h3-10,13,20H,11-12,14H2,1-2H3,(H,23,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 600n/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