BindingDB logo
myBDB logout

BDBM50121051 CHEMBL3621437

SMILES: COC1CCN(CC1)c1nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n1

InChI Key: InChIKey=XHJMCIALHJMEBB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50121051   
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))
BDBM50121051
PNG
(CHEMBL3621437)
Show SMILES COC1CCN(CC1)c1nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n1
Show InChI InChI=1S/C18H30N4O4/c1-18(2,3)11-13(23)19-14-15(25-5)20-17(21-16(14)26-6)22-9-7-12(24-4)8-10-22/h12H,7-11H2,1-6H3,(H,19,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 625n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human Kv7.4 expressed in CHOK1 cells


Bioorg Med Chem Lett 25: 4941-4 (2015)


BindingDB Entry DOI: 10.7270/Q28054FG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50121051
PNG
(CHEMBL3621437)
Show SMILES COC1CCN(CC1)c1nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n1
Show InChI InChI=1S/C18H30N4O4/c1-18(2,3)11-13(23)19-14-15(25-5)20-17(21-16(14)26-6)22-9-7-12(24-4)8-10-22/h12H,7-11H2,1-6H3,(H,19,23)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 334n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/7.3 expressed in CHOK1 cells


Bioorg Med Chem Lett 25: 4941-4 (2015)


BindingDB Entry DOI: 10.7270/Q28054FG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 4


(Rattus norvegicus)
BDBM50121051
PNG
(CHEMBL3621437)
Show SMILES COC1CCN(CC1)c1nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n1
Show InChI InChI=1S/C18H30N4O4/c1-18(2,3)11-13(23)19-14-15(25-5)20-17(21-16(14)26-6)22-9-7-12(24-4)8-10-22/h12H,7-11H2,1-6H3,(H,19,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 376n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of rat Kv7.4 expressed in CHOK1 cells


Bioorg Med Chem Lett 25: 4941-4 (2015)


BindingDB Entry DOI: 10.7270/Q28054FG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50121051
PNG
(CHEMBL3621437)
Show SMILES COC1CCN(CC1)c1nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n1
Show InChI InChI=1S/C18H30N4O4/c1-18(2,3)11-13(23)19-14-15(25-5)20-17(21-16(14)26-6)22-9-7-12(24-4)8-10-22/h12H,7-11H2,1-6H3,(H,19,23)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human Kv7.1/KCNE1 expressed in CHOK1 cells


Bioorg Med Chem Lett 25: 4941-4 (2015)


BindingDB Entry DOI: 10.7270/Q28054FG
More data for this
Ligand-Target Pair