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BDBM322277 N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2]octan]-3'-yl)benzo[b]thiophene-6-carboxamide::US10183938, Compound 58a

SMILES: O=C(NC1C2CCN(CC2)C11CC1)c1ccc2ccsc2c1

InChI Key: InChIKey=HIFHKIVBOAYGIT-UHFFFAOYSA-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 = 322277   
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 protein alpha-7 subunit


(Homo sapiens (Human))
BDBM322277
PNG
(N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2]oct...)
Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1ccc2ccsc2c1
Show InChI InChI=1S/C18H20N2OS/c21-17(14-2-1-12-5-10-22-15(12)11-14)19-16-13-3-8-20(9-4-13)18(16)6-7-18/h1-2,5,10-11,13,16H,3-4,6-9H2,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
110n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...


US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM322277
PNG
(N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2]oct...)
Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1ccc2ccsc2c1
Show InChI InChI=1S/C18H20N2OS/c21-17(14-2-1-12-5-10-22-15(12)11-14)19-16-13-3-8-20(9-4-13)18(16)6-7-18/h1-2,5,10-11,13,16H,3-4,6-9H2,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
910n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair