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BDBM50381983 CHEMBL2023929

SMILES: Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(c1)C(F)(F)F

InChI Key: InChIKey=KVDQWUVURWICGP-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50381983   
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 H member 2


(Homo sapiens (Human))
BDBM50381983
PNG
(CHEMBL2023929)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H25F4N5O2/c25-20-8-3-2-7-18(20)21(34)30-16-9-10-17(19(15-16)24(26,27)28)22-31-32-23(35-22)29-11-6-14-33-12-4-1-5-13-33/h2-3,7-10,15H,1,4-6,11-14H2,(H,29,32)(H,30,34)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay


Bioorg Med Chem Lett 22: 3560-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.040
BindingDB Entry DOI: 10.7270/Q21V5FZC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50381983
PNG
(CHEMBL2023929)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H25F4N5O2/c25-20-8-3-2-7-18(20)21(34)30-16-9-10-17(19(15-16)24(26,27)28)22-31-32-23(35-22)29-11-6-14-33-12-4-1-5-13-33/h2-3,7-10,15H,1,4-6,11-14H2,(H,29,32)(H,30,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Bioorg Med Chem Lett 22: 3560-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.040
BindingDB Entry DOI: 10.7270/Q21V5FZC
More data for this
Ligand-Target Pair