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BDBM50219142 3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]azacycloundecene::3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]azacycloundecine::CHEMBL276778

SMILES: COc1ccc2Cc3ccccc3CCCN(C)CCc2c1

InChI Key: InChIKey=IBGVTRNZLWEIPT-UHFFFAOYSA-N

Data: 7 KI  1 Kd

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 8 hits for monomerid = 50219142   
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
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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PubMed
4.60n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human dopamine D5 receptor expressed in HEK293 cells


J Med Chem 50: 4528-33 (2007)


Article DOI: 10.1021/jm070388+
BindingDB Entry DOI: 10.7270/Q2S46RPG
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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18.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human dopamine D1 receptor


J Med Chem 50: 4528-33 (2007)


Article DOI: 10.1021/jm070388+
BindingDB Entry DOI: 10.7270/Q2S46RPG
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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21.9n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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86.7n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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87n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in HEK293 cells


J Med Chem 50: 4528-33 (2007)


Article DOI: 10.1021/jm070388+
BindingDB Entry DOI: 10.7270/Q2S46RPG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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271n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D4.4 receptor expressed in CHO cells


J Med Chem 50: 4528-33 (2007)


Article DOI: 10.1021/jm070388+
BindingDB Entry DOI: 10.7270/Q2S46RPG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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507n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells


J Med Chem 50: 4528-33 (2007)


Article DOI: 10.1021/jm070388+
BindingDB Entry DOI: 10.7270/Q2S46RPG
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50219142
PNG
(3-methoxy-7-methyl-6,7,8,9,10,15-hexahydro-5H-dibe...)
Show SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-20(22-2)15-19(18)11-13-21/h3-4,6-7,9-10,15H,5,8,11-14H2,1-2H3
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KEGG

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n/an/an/a 3.39n/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair