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BDBM50521286 CHEMBL4450214

SMILES: CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(CC#C)Cc1ccc(F)cc1

InChI Key: InChIKey=RWGLOYVKHMTDFT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50521286   
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))
BDBM50521286
PNG
(CHEMBL4450214)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(CC#C)Cc1ccc(F)cc1
Show InChI InChI=1S/C26H32FN3O4/c1-8-15-30(17-18-9-11-19(27)12-10-18)20-13-14-21(28-23(31)33-25(2,3)4)22(16-20)29-24(32)34-26(5,6)7/h1,9-14,16H,15,17H2,2-7H3,(H,28,31)(H,29,32)
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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.43E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human KCNQ5 expressed in CHOK1 cells by whole cell patch clamp assay


ACS Med Chem Lett 10: 27-33 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00315
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Rattus norvegicus)
BDBM50521286
PNG
(CHEMBL4450214)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(CC#C)Cc1ccc(F)cc1
Show InChI InChI=1S/C26H32FN3O4/c1-8-15-30(17-18-9-11-19(27)12-10-18)20-13-14-21(28-23(31)33-25(2,3)4)22(16-20)29-24(32)34-26(5,6)7/h1,9-14,16H,15,17H2,2-7H3,(H,28,31)(H,29,32)
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at rat KCNQ2 expressed in CHOK1 cells by whole cell patch clamp assay


ACS Med Chem Lett 10: 27-33 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00315
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50521286
PNG
(CHEMBL4450214)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(CC#C)Cc1ccc(F)cc1
Show InChI InChI=1S/C26H32FN3O4/c1-8-15-30(17-18-9-11-19(27)12-10-18)20-13-14-21(28-23(31)33-25(2,3)4)22(16-20)29-24(32)34-26(5,6)7/h1,9-14,16H,15,17H2,2-7H3,(H,28,31)(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.03E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human KCNQ4 expressed in CHOK1 cells by whole cell patch clamp assay


ACS Med Chem Lett 10: 27-33 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00315
More data for this
Ligand-Target Pair