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BDBM50002330 4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol::CHEMBL139595

SMILES: OC(CCCN1CCN(CC1)c1ncc(Cl)cn1)c1ccc(F)cc1

InChI Key: InChIKey=RZBSYNVZZGXXQR-UHFFFAOYNA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50002330   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002330
PNG
(4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(Cl)cn1)c1ccc(F)cc1
Show InChI InChI=1/C18H22ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.66E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2


J Med Chem 35: 4516-25 (1993)


Article DOI: 10.1021/jm00102a002
BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50002330
PNG
(4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(Cl)cn1)c1ccc(F)cc1
Show InChI InChI=1/C18H22ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro


J Med Chem 35: 4516-25 (1993)


Article DOI: 10.1021/jm00102a002
BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50002330
PNG
(4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(Cl)cn1)c1ccc(F)cc1
Show InChI InChI=1/C18H22ClFN4O/c19-15-12-21-18(22-13-15)24-10-8-23(9-11-24)7-1-2-17(25)14-3-5-16(20)6-4-14/h3-6,12-13,17,25H,1-2,7-11H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site


J Med Chem 35: 4516-25 (1993)


Article DOI: 10.1021/jm00102a002
BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair