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BDBM50167463 5-Difluoromethoxy-11-aza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-triene::CHEMBL189968

SMILES: FC(F)Oc1ccc2C3CNCC(C3)Cc2c1

InChI Key: InChIKey=NUQOQQYEHCYTBU-UHFFFAOYNA-N

Data: 2 KI

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 = 50167463   
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
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50167463
PNG
(5-Difluoromethoxy-11-aza-tricyclo[7.3.1.0*2,7*]tri...)
Show SMILES FC(F)Oc1ccc2C3CNCC(C3)Cc2c1
Show InChI InChI=1/C13H15F2NO/c14-13(15)17-11-1-2-12-9(5-11)3-8-4-10(12)7-16-6-8/h1-2,5,8,10,13,16H,3-4,6-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50167463
PNG
(5-Difluoromethoxy-11-aza-tricyclo[7.3.1.0*2,7*]tri...)
Show SMILES FC(F)Oc1ccc2C3CNCC(C3)Cc2c1
Show InChI InChI=1/C13H15F2NO/c14-13(15)17-11-1-2-12-9(5-11)3-8-4-10(12)7-16-6-8/h1-2,5,8,10,13,16H,3-4,6-7H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha7 of IMR32 cells


Bioorg Med Chem Lett 15: 2974-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.036
BindingDB Entry DOI: 10.7270/Q25Q4WWB
More data for this
Ligand-Target Pair