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BDBM50304404 10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2,7}.0^{16,20}]henicosa-1(14),2(7),3,5,15,20-hexaene::CHEMBL610449

SMILES: CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1

InChI Key: InChIKey=IPSSDOFRDHFANX-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 = 50304404   
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))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.81E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
KEGG

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PC sid
UniChem
Article
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4.75E+3n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


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


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


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


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
Reactome pathway
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GoogleScholar
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PC cid
PC sid
UniChem
Article
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


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


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
Reactome pathway
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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


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


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


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


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50304404
PNG
(10-methyl-17,19-dioxa-10-azatetracyclo[12.7.0.0^{2...)
Show SMILES CN1CCCc2cc3OCOc3cc2-c2ccccc2CC1
Show InChI InChI=1S/C19H21NO2/c1-20-9-4-6-15-11-18-19(22-13-21-18)12-17(15)16-7-3-2-5-14(16)8-10-20/h2-3,5,7,11-12H,4,6,8-10,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


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


Bioorg Med Chem 17: 6898-907 (2009)


Article DOI: 10.1016/j.bmc.2009.08.028
BindingDB Entry DOI: 10.7270/Q2SB46P5
More data for this
Ligand-Target Pair