BindingDB logo
myBDB logout

BDBM50109953 3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4-methyl-pyrazolo[1,5-a]pyridine::4-(4-Chloro-phenyl)-1-(4-methyl-pyrazolo[1,5-a]pyridin-3-ylmethyl)-piperazin-1-ium::CHEMBL156369

SMILES: Cc1cccn2ncc(CN3CCN(CC3)c3ccc(Cl)cc3)c12

InChI Key: InChIKey=FVQOIDZBAPLYGQ-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 = 50109953   
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))
BDBM50109953
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4-met...)
Show SMILES Cc1cccn2ncc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H21ClN4/c1-15-3-2-8-24-19(15)16(13-21-24)14-22-9-11-23(12-10-22)18-6-4-17(20)5-7-18/h2-8,13H,9-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
50n/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
DRD1


(BOVINE)
BDBM50109953
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4-met...)
Show SMILES Cc1cccn2ncc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H21ClN4/c1-15-3-2-8-24-19(15)16(13-21-24)14-22-9-11-23(12-10-22)18-6-4-17(20)5-7-18/h2-8,13H,9-12,14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.00E+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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50109953
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4-met...)
Show SMILES Cc1cccn2ncc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H21ClN4/c1-15-3-2-8-24-19(15)16(13-21-24)14-22-9-11-23(12-10-22)18-6-4-17(20)5-7-18/h2-8,13H,9-12,14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
9.40E+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 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))
BDBM50109953
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4-met...)
Show SMILES Cc1cccn2ncc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H21ClN4/c1-15-3-2-8-24-19(15)16(13-21-24)14-22-9-11-23(12-10-22)18-6-4-17(20)5-7-18/h2-8,13H,9-12,14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.20E+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))
BDBM50109953
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4-met...)
Show SMILES Cc1cccn2ncc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H21ClN4/c1-15-3-2-8-24-19(15)16(13-21-24)14-22-9-11-23(12-10-22)18-6-4-17(20)5-7-18/h2-8,13H,9-12,14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.30E+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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50109953
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4-met...)
Show SMILES Cc1cccn2ncc(CN3CCN(CC3)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H21ClN4/c1-15-3-2-8-24-19(15)16(13-21-24)14-22-9-11-23(12-10-22)18-6-4-17(20)5-7-18/h2-8,13H,9-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+14n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone from dopamine receptor D4.4 expressed in CHO-K1 cells


J Med Chem 44: 1151-7 (2001)


Article DOI: 10.1021/jm001055e
BindingDB Entry DOI: 10.7270/Q2959M91
More data for this
Ligand-Target Pair