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BDBM50109949 7-(4-Benzyl-piperazin-1-yl)-3-[4-(4-chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine::CHEMBL160266

SMILES: Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)N2CCN(Cc3ccccc3)CC2)CC1

InChI Key: InChIKey=GYWHDZIJHYATFG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50109949   
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))
BDBM50109949
PNG
(7-(4-Benzyl-piperazin-1-yl)-3-[4-(4-chloro-phenyl)...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)N2CCN(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C29H33ClN6/c30-26-9-11-27(12-10-26)34-17-13-33(14-18-34)23-25-21-31-36-28(25)7-4-8-29(36)35-19-15-32(16-20-35)22-24-5-2-1-3-6-24/h1-12,21H,13-20,22-23H2
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180n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D4 stably expressed in CHO cells by [3H]spiperone displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50109949
PNG
(7-(4-Benzyl-piperazin-1-yl)-3-[4-(4-chloro-phenyl)...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)N2CCN(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C29H33ClN6/c30-26-9-11-27(12-10-26)34-17-13-33(14-18-34)23-25-21-31-36-28(25)7-4-8-29(36)35-19-15-32(16-20-35)22-24-5-2-1-3-6-24/h1-12,21H,13-20,22-23H2
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400n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109949
PNG
(7-(4-Benzyl-piperazin-1-yl)-3-[4-(4-chloro-phenyl)...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)N2CCN(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C29H33ClN6/c30-26-9-11-27(12-10-26)34-17-13-33(14-18-34)23-25-21-31-36-28(25)7-4-8-29(36)35-19-15-32(16-20-35)22-24-5-2-1-3-6-24/h1-12,21H,13-20,22-23H2
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410n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D3 stably expressed in CHO cells by [3H]spiperone displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50109949
PNG
(7-(4-Benzyl-piperazin-1-yl)-3-[4-(4-chloro-phenyl)...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)N2CCN(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C29H33ClN6/c30-26-9-11-27(12-10-26)34-17-13-33(14-18-34)23-25-21-31-36-28(25)7-4-8-29(36)35-19-15-32(16-20-35)22-24-5-2-1-3-6-24/h1-12,21H,13-20,22-23H2
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640n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM50109949
PNG
(7-(4-Benzyl-piperazin-1-yl)-3-[4-(4-chloro-phenyl)...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)N2CCN(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C29H33ClN6/c30-26-9-11-27(12-10-26)34-17-13-33(14-18-34)23-25-21-31-36-28(25)7-4-8-29(36)35-19-15-32(16-20-35)22-24-5-2-1-3-6-24/h1-12,21H,13-20,22-23H2
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1.50E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D1 stably expressed in CHO cells by [3H]-SCH- 23390 displacement.


Bioorg Med Chem Lett 12: 633-6 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair