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BDBM50381984 CHEMBL2023930

SMILES: CCc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1

InChI Key: InChIKey=WISMAYYAAISQCZ-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 = 50381984   
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))
BDBM50381984
PNG
(CHEMBL2023930)
Show SMILES CCc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
Show InChI InChI=1S/C25H30FN5O2/c1-2-18-17-19(28-23(32)21-9-4-5-10-22(21)26)11-12-20(18)24-29-30-25(33-24)27-13-8-16-31-14-6-3-7-15-31/h4-5,9-12,17H,2-3,6-8,13-16H2,1H3,(H,27,30)(H,28,32)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.98E+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))
BDBM50381984
PNG
(CHEMBL2023930)
Show SMILES CCc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
Show InChI InChI=1S/C25H30FN5O2/c1-2-18-17-19(28-23(32)21-9-4-5-10-22(21)26)11-12-20(18)24-29-30-25(33-24)27-13-8-16-31-14-6-3-7-15-31/h4-5,9-12,17H,2-3,6-8,13-16H2,1H3,(H,27,30)(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 126n/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