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BDBM50417098 CHEMBL1256003

SMILES: N[C@H]1CN2CCC1CC2

InChI Key: InChIKey=REUAXQZIRFXQML-ZETCQYMHSA-N

Data: 2 KI  1 Kd

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 = 50417098   
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))
BDBM50417098
PNG
(CHEMBL1256003)
Show SMILES N[C@H]1CN2CCC1CC2 |r,wU:1.0,THB:0:1:4.5:8.7,(6.18,-36.2,;4.79,-36.98,;4.59,-38.42,;2.99,-37.74,;1.57,-38.4,;1.86,-36.95,;3.26,-36.32,;3.19,-34.61,;2.73,-35.76,)|
Show InChI InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50417098
PNG
(CHEMBL1256003)
Show SMILES N[C@H]1CN2CCC1CC2 |r,wU:1.0,THB:0:1:4.5:8.7,(6.18,-36.2,;4.79,-36.98,;4.59,-38.42,;2.99,-37.74,;1.57,-38.4,;1.86,-36.95,;3.26,-36.32,;3.19,-34.61,;2.73,-35.76,)|
Show InChI InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10E+5n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50417098
PNG
(CHEMBL1256003)
Show SMILES N[C@H]1CN2CCC1CC2 |r,wU:1.0,THB:0:1:4.5:8.7,(6.18,-36.2,;4.79,-36.98,;4.59,-38.42,;2.99,-37.74,;1.57,-38.4,;1.86,-36.95,;3.26,-36.32,;3.19,-34.61,;2.73,-35.76,)|
Show InChI InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.41E+4n/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair