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BDBM50099564 (3aR,9bS)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[2,3-f]quinoline::CHEMBL281410

SMILES: CN1CC[C@H]2CCc3ncccc3[C@@H]12

InChI Key: InChIKey=IWIBAQWOZHPVCE-SKDRFNHKSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50099564   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50099564
PNG
((3aR,9bS)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrr...)
Show SMILES CN1CC[C@H]2CCc3ncccc3[C@@H]12
Show InChI InChI=1S/C12H16N2/c1-14-8-6-9-4-5-11-10(12(9)14)3-2-7-13-11/h2-3,7,9,12H,4-6,8H2,1H3/t9-,12+/m1/s1
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Article
PubMed
1.22E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Nicotine binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM50099564
PNG
((3aR,9bS)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrr...)
Show SMILES CN1CC[C@H]2CCc3ncccc3[C@@H]12
Show InChI InChI=1S/C12H16N2/c1-14-8-6-9-4-5-11-10(12(9)14)3-2-7-13-11/h2-3,7,9,12H,4-6,8H2,1H3/t9-,12+/m1/s1
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Article
PubMed
1.22E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Affinity for Nicotinic acetylcholine receptor alpha4-beta2 tested by analogue-induced inhibition of [3H]NIC binding to rat striatal membranes


Bioorg Med Chem Lett 11: 1245-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00193-7
BindingDB Entry DOI: 10.7270/Q2RF5VKS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50099564
PNG
((3aR,9bS)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrr...)
Show SMILES CN1CC[C@H]2CCc3ncccc3[C@@H]12
Show InChI InChI=1S/C12H16N2/c1-14-8-6-9-4-5-11-10(12(9)14)3-2-7-13-11/h2-3,7,9,12H,4-6,8H2,1H3/t9-,12+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Affinity for alpha-7 neuronal nicotinic acetylcholine receptor subtype determined by inhibition of [3H]-MLA binding to rat brain membranes


Bioorg Med Chem Lett 11: 1245-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00193-7
BindingDB Entry DOI: 10.7270/Q2RF5VKS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50099564
PNG
((3aR,9bS)-1-Methyl-2,3,3a,4,5,9b-hexahydro-1H-pyrr...)
Show SMILES CN1CC[C@H]2CCc3ncccc3[C@@H]12
Show InChI InChI=1S/C12H16N2/c1-14-8-6-9-4-5-11-10(12(9)14)3-2-7-13-11/h2-3,7,9,12H,4-6,8H2,1H3/t9-,12+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MLA binding to alpha7 nicotinic acetylcholine receptor of rat brain membrane


Bioorg Med Chem Lett 15: 3874-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.118
BindingDB Entry DOI: 10.7270/Q2ZK5G6J
More data for this
Ligand-Target Pair