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BDBM50465778 CHEMBL4287478

SMILES: C[C@H](NC(=O)[C@H]1CC(F)(F)CC[C@@H]1c1ccccc1)c1ccccc1

InChI Key: InChIKey=CZZMLALOKXNFIA-IPELMVKDSA-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 = 50465778   
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 KQT member 2/3


(Homo sapiens (Human))
BDBM50465778
PNG
(CHEMBL4287478)
Show SMILES C[C@H](NC(=O)[C@H]1CC(F)(F)CC[C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H23F2NO/c1-15(16-8-4-2-5-9-16)24-20(25)19-14-21(22,23)13-12-18(19)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,24,25)/t15-,18+,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/7.3 by patch clamp method


Bioorg Med Chem Lett 28: 3793-3797 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.036
BindingDB Entry DOI: 10.7270/Q28W3H0D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 3/5


(Homo sapiens (Human))
BDBM50465778
PNG
(CHEMBL4287478)
Show SMILES C[C@H](NC(=O)[C@H]1CC(F)(F)CC[C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H23F2NO/c1-15(16-8-4-2-5-9-16)24-20(25)19-14-21(22,23)13-12-18(19)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,24,25)/t15-,18+,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 400n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activation of human Kv7.3/7.5 by patch clamp method


Bioorg Med Chem Lett 28: 3793-3797 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.036
BindingDB Entry DOI: 10.7270/Q28W3H0D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 4


(Homo sapiens (Human))
BDBM50465778
PNG
(CHEMBL4287478)
Show SMILES C[C@H](NC(=O)[C@H]1CC(F)(F)CC[C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H23F2NO/c1-15(16-8-4-2-5-9-16)24-20(25)19-14-21(22,23)13-12-18(19)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,24,25)/t15-,18+,19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activation of human Kv7.4 by patch clamp method


Bioorg Med Chem Lett 28: 3793-3797 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.036
BindingDB Entry DOI: 10.7270/Q28W3H0D
More data for this
Ligand-Target Pair