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SMILES: CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1

InChI Key: InChIKey=ASMHEURTLBOCKH-HZHRSRAPSA-N

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 = 50206173   
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))
BDBM50206173
PNG
((E)-7-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)
Show SMILES CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
Show InChI InChI=1S/C22H24N2O2/c1-16(25)26-22-8-4-7-18-9-10-20(13-21(18)22)23-15-24-12-11-17-5-2-3-6-19(17)14-24/h2-3,5-6,9-10,13,15,22H,4,7-8,11-12,14H2,1H3/b23-15+
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Article
PubMed
200n/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))
BDBM50206173
PNG
((E)-7-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)
Show SMILES CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
Show InChI InChI=1S/C22H24N2O2/c1-16(25)26-22-8-4-7-18-9-10-20(13-21(18)22)23-15-24-12-11-17-5-2-3-6-19(17)14-24/h2-3,5-6,9-10,13,15,22H,4,7-8,11-12,14H2,1H3/b23-15+
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Article
PubMed
1.40E+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))
BDBM50206173
PNG
((E)-7-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)
Show SMILES CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
Show InChI InChI=1S/C22H24N2O2/c1-16(25)26-22-8-4-7-18-9-10-20(13-21(18)22)23-15-24-12-11-17-5-2-3-6-19(17)14-24/h2-3,5-6,9-10,13,15,22H,4,7-8,11-12,14H2,1H3/b23-15+
PDB

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UniChem

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Article
PubMed
2.40E+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