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BDBM50296715 CHEMBL552005::biphenyl-3-yl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate

SMILES: O=C(Oc1cccc(c1)-c1ccccc1)N1CCN2CCC1CC2

InChI Key: InChIKey=AVUBBCJSYRFMJV-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50296715   
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


(Rattus norvegicus (Rat))
BDBM50296715
PNG
(CHEMBL552005 | biphenyl-3-yl 1,4-diazabicyclo[3.2....)
Show SMILES O=C(Oc1cccc(c1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(6.24,-14.72,;6.52,-16.3,;8.03,-16.84,;9.26,-15.81,;8.97,-14.24,;10.19,-13.2,;11.71,-13.75,;11.99,-15.33,;10.76,-16.36,;13.43,-15.85,;13.7,-17.36,;15.14,-17.89,;16.32,-16.9,;16.05,-15.38,;14.6,-14.86,;5.3,-17.33,;5.68,-18.86,;4.64,-18.11,;3.2,-18.18,;3.12,-16.41,;3.76,-15.21,;3.84,-16.69,;2.48,-17.42,;2.17,-18.92,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(22-14-13-21-11-9-18(22)10-12-21)24-19-8-4-7-17(15-19)16-5-2-1-3-6-16/h1-8,15,18H,9-14H2
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nAChR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 19: 4747-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.059
BindingDB Entry DOI: 10.7270/Q21G0N69
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50296715
PNG
(CHEMBL552005 | biphenyl-3-yl 1,4-diazabicyclo[3.2....)
Show SMILES O=C(Oc1cccc(c1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(6.24,-14.72,;6.52,-16.3,;8.03,-16.84,;9.26,-15.81,;8.97,-14.24,;10.19,-13.2,;11.71,-13.75,;11.99,-15.33,;10.76,-16.36,;13.43,-15.85,;13.7,-17.36,;15.14,-17.89,;16.32,-16.9,;16.05,-15.38,;14.6,-14.86,;5.3,-17.33,;5.68,-18.86,;4.64,-18.11,;3.2,-18.18,;3.12,-16.41,;3.76,-15.21,;3.84,-16.69,;2.48,-17.42,;2.17,-18.92,)|
Show InChI InChI=1S/C20H22N2O2/c23-20(22-14-13-21-11-9-18(22)10-12-21)24-19-8-4-7-17(15-19)16-5-2-1-3-6-16/h1-8,15,18H,9-14H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method


Bioorg Med Chem Lett 19: 4747-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.059
BindingDB Entry DOI: 10.7270/Q21G0N69
More data for this
Ligand-Target Pair