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BDBM50119388 CHEMBL336930::N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)H-pyrazolo[1,5-a]pyridine-6-carboxamide::Pyrazolo[1,5-a]pyridine-6-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1

InChI Key: InChIKey=YZQXLVIDXVUDPY-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50119388   
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))
BDBM50119388
PNG
(CHEMBL336930 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29)
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PubMed
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


(Homo sapiens (Human))
BDBM50119388
PNG
(CHEMBL336930 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29)
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19n/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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119388
PNG
(CHEMBL336930 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29)
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40n/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))
BDBM50119388
PNG
(CHEMBL336930 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29)
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84n/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))
BDBM50119388
PNG
(CHEMBL336930 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29)
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140n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50119388
PNG
(CHEMBL336930 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-22-7-3-2-6-21(22)27-16-14-26(15-17-27)13-5-4-11-24-23(29)19-8-9-20-10-12-25-28(20)18-19/h2-3,6-10,12,18H,4-5,11,13-17H2,1H3,(H,24,29)
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PubMed
2.00E+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