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SMILES: CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1

InChI Key: InChIKey=NIBSKZAKNHPDAI-HYARGMPZSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50206178   
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50206178
PNG
((E)-6-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)
Show SMILES CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
Show InChI InChI=1S/C21H22N2O2/c1-15(24)25-21-9-7-17-6-8-19(12-20(17)21)22-14-23-11-10-16-4-2-3-5-18(16)13-23/h2-6,8,12,14,21H,7,9-11,13H2,1H3/b22-14+
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Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50206178
PNG
((E)-6-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)
Show SMILES CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
Show InChI InChI=1S/C21H22N2O2/c1-15(24)25-21-9-7-17-6-8-19(12-20(17)21)22-14-23-11-10-16-4-2-3-5-18(16)13-23/h2-6,8,12,14,21H,7,9-11,13H2,1H3/b22-14+
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Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50206178
PNG
((E)-6-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)
Show SMILES CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
Show InChI InChI=1S/C21H22N2O2/c1-15(24)25-21-9-7-17-6-8-19(12-20(17)21)22-14-23-11-10-16-4-2-3-5-18(16)13-23/h2-6,8,12,14,21H,7,9-11,13H2,1H3/b22-14+
PDB

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UniChem

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Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor


Bioorg Med Chem Lett 17: 2649-55 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.093
BindingDB Entry DOI: 10.7270/Q2WQ03F0
More data for this
Ligand-Target Pair