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BDBM50071366 7-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinoline::CHEMBL71486

SMILES: COc1cc2CCC3CCNC3c2cn1

InChI Key: InChIKey=PXBSPNGMNRTLCH-UHFFFAOYSA-N

Data: 4 EC50

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 4 hits for monomerid = 50071366   
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-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50071366
PNG
(7-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h...)
Show SMILES COc1cc2CCC3CCNC3c2cn1
Show InChI InChI=1S/C12H16N2O/c1-15-11-6-9-3-2-8-4-5-13-12(8)10(9)7-14-11/h6-8,12-13H,2-5H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its agonist activity against activated human recombinant Nicotinic acetylcholine receptor alpha4-beta4 in Xenopus Oocytes


Bioorg Med Chem Lett 8: 2173-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00394-1
BindingDB Entry DOI: 10.7270/Q2V9877J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50071366
PNG
(7-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h...)
Show SMILES COc1cc2CCC3CCNC3c2cn1
Show InChI InChI=1S/C12H16N2O/c1-15-11-6-9-3-2-8-4-5-13-12(8)10(9)7-14-11/h6-8,12-13H,2-5H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+5n/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Effective concentration against Nicotinic acetylcholine receptor alpha 7


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4


(HUMAN)
BDBM50071366
PNG
(7-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h...)
Show SMILES COc1cc2CCC3CCNC3c2cn1
Show InChI InChI=1S/C12H16N2O/c1-15-11-6-9-3-2-8-4-5-13-12(8)10(9)7-14-11/h6-8,12-13H,2-5H2,1H3
PDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.70E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for agonist activity against activated human recombinant Nicotinic acetylcholine receptor alpha2-beta4 in Xenopus Oocytes


Bioorg Med Chem Lett 8: 2173-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00394-1
BindingDB Entry DOI: 10.7270/Q2V9877J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50071366
PNG
(7-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h...)
Show SMILES COc1cc2CCC3CCNC3c2cn1
Show InChI InChI=1S/C12H16N2O/c1-15-11-6-9-3-2-8-4-5-13-12(8)10(9)7-14-11/h6-8,12-13H,2-5H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for agonist activity against activated human recombinant aNicotinic acetylcholine receptor alpha4-beta2 in Xenopus Oocytes


Bioorg Med Chem Lett 8: 2173-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00394-1
BindingDB Entry DOI: 10.7270/Q2V9877J
More data for this
Ligand-Target Pair