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BDBM50119391 CHEMBL142020::N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)H-pyrazolo[1,5-a]pyridine-2-carboxamide::Pyrazolo[1,5-a]pyridine-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1

InChI Key: InChIKey=MBSIGRZACGJWRM-UHFFFAOYSA-N

Data: 14 KI  1 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 22 hits for monomerid = 50119391   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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2n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D4 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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3.5n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL




Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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4.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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4.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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24n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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99n/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)


BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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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 cloned dopamine D4 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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130n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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150n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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150n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL




Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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200n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL




Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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270n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL




Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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310n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


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


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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310n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (short) by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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310n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (long) by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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330n/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)


BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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340n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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430n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL




Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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1.50E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for porcine Dopamine receptor D1 by [3H]-SCH- 23390 displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL




Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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antibodypedia
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CHEMBL
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UniChem
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3.70E+3n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstra?e 19, D-91052 Erlangen, Germany.

Curated by ChEMBL




Bioorg Med Chem 25: 3491-3499 (2017)


Article DOI: 10.1016/j.bmc.2017.04.036
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119391
PNG
(CHEMBL142020 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 1.40n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Intrinsic activity in mitogenesis assay using Dopamine receptor D3 expressing CHO cells


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair