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BDBM50059218 2-[5-(1-Phenethyl-piperidin-4-yl)-2H-pyrazol-3-yl]-pyridine::CHEMBL310819

SMILES: C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1ccccn1

InChI Key: InChIKey=RWEPTLSUVVSWHX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50059218   
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))
BDBM50059218
PNG
(2-[5-(1-Phenethyl-piperidin-4-yl)-2H-pyrazol-3-yl]...)
Show SMILES C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1ccccn1
Show InChI InChI=1S/C21H24N4/c1-2-6-17(7-3-1)9-13-25-14-10-18(11-15-25)20-16-21(24-23-20)19-8-4-5-12-22-19/h1-8,12,16,18H,9-11,13-15H2,(H,23,24)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
22n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50059218
PNG
(2-[5-(1-Phenethyl-piperidin-4-yl)-2H-pyrazol-3-yl]...)
Show SMILES C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1ccccn1
Show InChI InChI=1S/C21H24N4/c1-2-6-17(7-3-1)9-13-25-14-10-18(11-15-25)20-16-21(24-23-20)19-8-4-5-12-22-19/h1-8,12,16,18H,9-11,13-15H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
860n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50059218
PNG
(2-[5-(1-Phenethyl-piperidin-4-yl)-2H-pyrazol-3-yl]...)
Show SMILES C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)-c1ccccn1
Show InChI InChI=1S/C21H24N4/c1-2-6-17(7-3-1)9-13-25-14-10-18(11-15-25)20-16-21(24-23-20)19-8-4-5-12-22-19/h1-8,12,16,18H,9-11,13-15H2,(H,23,24)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK-293 cells.


J Med Chem 40: 2374-85 (1997)


Article DOI: 10.1021/jm970111h
BindingDB Entry DOI: 10.7270/Q2PN94R9
More data for this
Ligand-Target Pair