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BDBM50196234 8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g][4]benzazacycloundecine::CHEMBL216258

SMILES: CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1

InChI Key: InChIKey=SJSQVUBCTSCTIM-UHFFFAOYSA-N

Data: 10 KI

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 10 hits for monomerid = 50196234   
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
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
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0.610n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


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


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Activity at human D2L dopamine receptor expressed in HEK293 cells by calcium fluorescence assay


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
KEGG

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2.04n/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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
KEGG

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2.20n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human D1 dopamine receptor expressed in HEK293 cells


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
UniProtKB/SwissProt

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UniChem

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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Activity at human D5 dopamine receptor expressed in HEK293 cells by calcium fluorescence assay


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Activity at human D1 dopamine receptor expressed in HEK293 cells by calcium fluorescence assay


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
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13.5n/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))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
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14.5n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


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


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
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98.4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


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


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
278n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


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


J Med Chem 49: 6408-11 (2006)


Article DOI: 10.1021/jm060213k
BindingDB Entry DOI: 10.7270/Q2GT5MTB
More data for this
Ligand-Target Pair