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BDBM322280 N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]octan]-3''-yl)-7-(trifluoromethyl)benzo[b]thiophene-2-carboxamide::US10183938, Compound 60a::US10183938, Compound 60b

SMILES: FC(F)(F)c1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1

InChI Key: InChIKey=KAJKLJPCBJPNMB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 322280   
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))
BDBM322280
PNG
(N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...)
Show SMILES FC(F)(F)c1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H19F3N2OS/c20-19(21,22)13-3-1-2-12-10-14(26-15(12)13)17(25)23-16-11-4-8-24(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
98n/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))
BDBM322280
PNG
(N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...)
Show SMILES FC(F)(F)c1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H19F3N2OS/c20-19(21,22)13-3-1-2-12-10-14(26-15(12)13)17(25)23-16-11-4-8-24(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.01E+3n/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
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM322280
PNG
(N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...)
Show SMILES FC(F)(F)c1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H19F3N2OS/c20-19(21,22)13-3-1-2-12-10-14(26-15(12)13)17(25)23-16-11-4-8-24(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.10E+4n/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