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BDBM50109945 3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-methyl-pyrazolo[1,5-a]pyridine-7-carbonitrile::CHEMBL160932

SMILES: Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N

InChI Key: InChIKey=MFGYZKGJWDJWAA-UHFFFAOYSA-N

Data: 6 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 7 hits for monomerid = 50109945   
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))
BDBM50109945
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-met...)
Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3
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2.30n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50109945
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-met...)
Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3
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4.50E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to compete with [3H]8-OH-DPAT at 5-hydroxytryptamine 1A receptor in porcine brain homogenate


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


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


(BOVINE)
BDBM50109945
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-met...)
Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3
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1.10E+4n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109945
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-met...)
Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3
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2.10E+4n/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))
BDBM50109945
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-met...)
Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3
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5.80E+4n/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 (short) 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))
BDBM50109945
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-met...)
Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3
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5.90E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity of compound was tested in vitro for its ability to compete with [3H]spiperone radioligand at cloned human Dopamine receptor D2L stab...


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


BindingDB Entry DOI: 10.7270/Q2JM2B5X
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50109945
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-met...)
Show SMILES Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H20ClN5/c1-15-19(20-4-2-3-18(13-22)26(20)23-15)14-24-9-11-25(12-10-24)17-7-5-16(21)6-8-17/h2-8H,9-12,14H2,1H3
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n/an/an/an/a 12n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Tested for the effective concentration against human D4.2 receptor in CHO 10001 cells established in mitogenesis assay


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


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