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BDBM50119496 CHEMBL3613877

SMILES: COc1ccccc1N1CCN(CCc2cn(nn2)-c2ccn3ncc(C=O)c3c2)CC1

InChI Key: InChIKey=UHYDZQALANMGBP-UHFFFAOYSA-N

Data: 5 KI  2 EC50

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 7 hits for monomerid = 50119496   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119496
PNG
(CHEMBL3613877)
Show SMILES COc1ccccc1N1CCN(CCc2cn(nn2)-c2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3
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PC sid
UniChem

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Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119496
PNG
(CHEMBL3613877)
Show SMILES COc1ccccc1N1CCN(CCc2cn(nn2)-c2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3
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9.40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in CHO cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119496
PNG
(CHEMBL3613877)
Show SMILES COc1ccccc1N1CCN(CCc2cn(nn2)-c2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3
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18n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50119496
PNG
(CHEMBL3613877)
Show SMILES COc1ccccc1N1CCN(CCc2cn(nn2)-c2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3
MMDB

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89n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50119496
PNG
(CHEMBL3613877)
Show SMILES COc1ccccc1N1CCN(CCc2cn(nn2)-c2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3
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620n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23990 from human dopamine D1 receptor expressed in CHO cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119496
PNG
(CHEMBL3613877)
Show SMILES COc1ccccc1N1CCN(CCc2cn(nn2)-c2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3
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n/an/an/an/a 4.37E+3n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Activity at dopamine D2S receptor (unknown origin) expressed in HEK293 cell membranes co-expressing Galpha protein subunit Galphai2 by [35S]GTPgammaS...


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119496
PNG
(CHEMBL3613877)
Show SMILES COc1ccccc1N1CCN(CCc2cn(nn2)-c2ccn3ncc(C=O)c3c2)CC1
Show InChI InChI=1S/C23H25N7O2/c1-32-23-5-3-2-4-21(23)28-12-10-27(11-13-28)8-6-19-16-30(26-25-19)20-7-9-29-22(14-20)18(17-31)15-24-29/h2-5,7,9,14-17H,6,8,10-13H2,1H3
Reactome pathway
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n/an/an/an/a 550n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Activity at dopamine D2S receptor (unknown origin) expressed in HEK293 cell membranes co-expressing Galpha protein subunit Galphao1 by [35S]GTPgammaS...


Bioorg Med Chem 23: 6195-209 (2015)


Article DOI: 10.1016/j.bmc.2015.07.050
BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair