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BDBM50401946 CHEMBL2207639

SMILES: COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1

InChI Key: InChIKey=RMDQSWIVOHIFNT-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50401946   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50401946
PNG
(CHEMBL2207639)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
Show InChI InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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92n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50401946
PNG
(CHEMBL2207639)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
Show InChI InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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130n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50401946
PNG
(CHEMBL2207639)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
Show InChI InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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350n/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 cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50401946
PNG
(CHEMBL2207639)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
Show InChI InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex homogenate after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50401946
PNG
(CHEMBL2207639)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
Show InChI InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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UniChem
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5.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine striatal membranes after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50401946
PNG
(CHEMBL2207639)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
Show InChI InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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6.10E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]URDE257 from human histamine H2 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation countin...


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50401946
PNG
(CHEMBL2207639)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
Show InChI InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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6.50E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation coun...


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50401946
PNG
(CHEMBL2207639)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
Show InChI InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scinti...


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50401946
PNG
(CHEMBL2207639)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
Show InChI InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-PI294 from human histamine H4 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation counti...


Bioorg Med Chem Lett 22: 7151-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.064
BindingDB Entry DOI: 10.7270/Q2Q52QSM
More data for this
Ligand-Target Pair